| Total Complexity | 59 |
| Total Lines | 1054 |
| Duplicated Lines | 8.92 % |
| Changes | 0 | ||
Duplicate code is one of the most pungent code smells. A rule that is often used is to re-structure code once it is duplicated in three or more places.
Common duplication problems, and corresponding solutions are:
Complex classes like mandos.entries.entries often do a lot of different things. To break such a class down, we need to identify a cohesive component within that class. A common approach to find such a component is to look for fields/methods that share the same prefixes, or suffixes.
Once you have determined the fields that belong together, you can apply the Extract Class refactoring. If the component makes sense as a sub-class, Extract Subclass is also a candidate, and is often faster.
| 1 | """ |
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| 2 | Run searches and write files. |
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| 3 | """ |
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| 4 | |||
| 5 | from __future__ import annotations |
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| 6 | |||
| 7 | import abc |
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| 8 | from pathlib import Path |
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| 9 | from typing import TypeVar, Generic, Union, Mapping, Set, Sequence, Type, Optional |
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| 10 | |||
| 11 | import typer |
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| 12 | |||
| 13 | from mandos.entries import EntryMeta |
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| 14 | from mandos.entries.args import EntryArgs |
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| 15 | from mandos.model import ReflectionUtils, InjectionError |
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| 16 | from mandos.model.chembl_api import ChemblApi |
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| 17 | from mandos.model.chembl_support import DataValidityComment |
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| 18 | from mandos.model.chembl_support.chembl_targets import TargetType |
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| 19 | from mandos.model.pubchem_support.pubchem_models import ( |
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| 20 | ClinicalTrialsGovUtils, |
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| 21 | CoOccurrenceType, |
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| 22 | DrugbankTargetType, |
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| 23 | ) |
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| 24 | from mandos.model.searches import Search |
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| 25 | from mandos.model.settings import MANDOS_SETTINGS |
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| 26 | from mandos.model.taxonomy import Taxonomy |
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| 27 | from mandos.model.taxonomy_caches import TaxonomyFactories |
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| 28 | from mandos.entries.api_singletons import Apis |
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| 29 | from mandos.search.pubchem.acute_effects_search import AcuteEffectSearch, Ld50Search |
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| 30 | from mandos.search.pubchem.bioactivity_search import BioactivitySearch |
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| 31 | from mandos.search.pubchem.computed_property_search import ( |
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| 32 | ComputedPropertySearch, |
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| 33 | ) |
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| 34 | from mandos.search.pubchem.dgidb_search import DgiSearch |
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| 35 | from mandos.search.pubchem.ctd_gene_search import CtdGeneSearch |
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| 36 | from mandos.entries.searcher import Searcher |
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| 37 | from mandos.search.pubchem.drugbank_ddi_search import DrugbankDdiSearch |
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| 38 | from mandos.search.pubchem.drugbank_interaction_search import ( |
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| 39 | DrugbankTargetSearch, |
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| 40 | DrugbankGeneralFunctionSearch, |
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| 41 | ) |
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| 42 | |||
| 43 | from mandos import logger, MandosMetadata, MandosLogging |
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| 44 | from mandos.search.chembl.binding_search import BindingSearch |
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| 45 | from mandos.search.chembl.atc_search import AtcSearch |
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| 46 | from mandos.search.chembl.go_search import GoType, GoSearch |
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| 47 | from mandos.search.chembl.indication_search import IndicationSearch |
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| 48 | from mandos.search.chembl.mechanism_search import MechanismSearch |
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| 49 | from mandos.search.pubchem.cooccurrence_search import ( |
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| 50 | GeneCoOccurrenceSearch, |
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| 51 | ChemicalCoOccurrenceSearch, |
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| 52 | CoOccurrenceSearch, |
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| 53 | DiseaseCoOccurrenceSearch, |
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| 54 | ) |
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| 55 | from mandos.search.pubchem.disease_search import DiseaseSearch |
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| 56 | |||
| 57 | S = TypeVar("S", bound=Search, covariant=True) |
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| 58 | U = TypeVar("U", covariant=True, bound=CoOccurrenceSearch) |
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| 59 | |||
| 60 | |||
| 61 | class Utils: |
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| 62 | """""" |
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| 63 | |||
| 64 | @staticmethod |
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| 65 | def split(st: str) -> Set[str]: |
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| 66 | return {s.strip() for s in st.split(",")} |
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| 67 | |||
| 68 | @staticmethod |
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| 69 | def get_taxa(taxa: str) -> Sequence[Taxonomy]: |
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| 70 | return [ |
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| 71 | TaxonomyFactories.from_uniprot(MANDOS_SETTINGS.taxonomy_cache_path).load(int(taxon)) |
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| 72 | for taxon in taxa.split(",") |
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| 73 | ] |
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| 74 | |||
| 75 | @staticmethod |
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| 76 | def get_trial_statuses(st: str) -> Set[str]: |
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| 77 | return ClinicalTrialsGovUtils.resolve_statuses(st) |
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| 78 | |||
| 79 | @staticmethod |
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| 80 | def get_target_types(st: str) -> Set[str]: |
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| 81 | return {s.name for s in TargetType.resolve(st)} |
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| 82 | |||
| 83 | @staticmethod |
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| 84 | def get_flags(st: str) -> Set[str]: |
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| 85 | return {s.name for s in DataValidityComment.resolve(st)} |
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| 86 | |||
| 87 | |||
| 88 | class Entry(Generic[S], metaclass=abc.ABCMeta): |
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| 89 | @classmethod |
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| 90 | def cmd(cls) -> str: |
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| 91 | key = cls._get_default_key() |
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| 92 | if isinstance(key, typer.models.OptionInfo): |
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| 93 | key = key.default |
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| 94 | if key is None or not isinstance(key, str): |
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| 95 | raise AssertionError(f"Key for {cls.__name__} is {key}") |
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| 96 | return key |
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| 97 | |||
| 98 | @classmethod |
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| 99 | def run(cls, path: Path, **params) -> None: |
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| 100 | raise NotImplementedError() |
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| 101 | |||
| 102 | @classmethod |
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| 103 | def get_search_type(cls) -> Type[S]: |
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| 104 | # noinspection PyTypeChecker |
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| 105 | return ReflectionUtils.get_generic_arg(cls, Search) |
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| 106 | |||
| 107 | # noinspection PyUnusedLocal |
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| 108 | @classmethod |
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| 109 | def test(cls, path: Path, **params) -> None: |
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| 110 | params = dict(params) |
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| 111 | params["test"] = True |
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| 112 | cls.run(**params) |
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| 113 | |||
| 114 | @classmethod |
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| 115 | def _run( |
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| 116 | cls, |
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| 117 | built: S, |
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| 118 | path: Path, |
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| 119 | to: Optional[Path], |
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| 120 | check: bool, |
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| 121 | log: Optional[Path], |
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| 122 | quiet: bool, |
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| 123 | verbose: bool, |
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| 124 | no_setup: bool, |
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| 125 | ): |
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| 126 | if not no_setup: |
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| 127 | level = EntryMeta.set_logging(verbose, quiet, log) |
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| 128 | logger.notice(f"Ready. Set log level to {level}") |
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| 129 | searcher = cls._get_searcher(built, path, to) |
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| 130 | logger.notice(f"Searching {built.key} [{built.search_class}] on {path}") |
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| 131 | out = searcher.output_paths[built.key] |
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| 132 | if not check: |
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| 133 | searcher.search() |
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| 134 | logger.notice(f"Done! Wrote to {out}") |
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| 135 | return searcher |
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| 136 | |||
| 137 | @classmethod |
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| 138 | def _get_searcher( |
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| 139 | cls, |
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| 140 | built: S, |
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| 141 | path: Path, |
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| 142 | to: Optional[Path], |
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| 143 | ): |
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| 144 | return Searcher([built], [to], path) |
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| 145 | |||
| 146 | @classmethod |
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| 147 | def default_param_values(cls) -> Mapping[str, Union[str, float, int]]: |
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| 148 | return { |
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| 149 | param: value |
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| 150 | for param, value in ReflectionUtils.default_arg_values(cls.run).items() |
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| 151 | if param not in {"key", "path"} |
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| 152 | } |
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| 153 | |||
| 154 | @classmethod |
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| 155 | def _get_default_key(cls) -> str: |
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| 156 | vals = ReflectionUtils.default_arg_values(cls.run) |
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| 157 | try: |
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| 158 | return vals["key"] |
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| 159 | except KeyError: |
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| 160 | logger.error(f"key not in {vals.keys()} for {cls.__name__}") |
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| 161 | raise |
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| 162 | |||
| 163 | |||
| 164 | class EntryChemblBinding(Entry[BindingSearch]): |
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| 165 | @classmethod |
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| 166 | def run( |
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| 167 | cls, |
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| 168 | path: Path = EntryArgs.path, |
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| 169 | key: str = EntryArgs.key("chembl:binding"), |
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| 170 | to: Optional[Path] = EntryArgs.to, |
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| 171 | taxa: Optional[str] = EntryArgs.taxa, |
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| 172 | traversal=EntryArgs.traversal_strategy, |
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| 173 | target_types=EntryArgs.target_types, |
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| 174 | confidence=EntryArgs.min_confidence, |
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| 175 | relations=EntryArgs.relations, |
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| 176 | min_pchembl=EntryArgs.min_pchembl, |
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| 177 | banned_flags=EntryArgs.banned_flags, |
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| 178 | check: bool = EntryArgs.test, |
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| 179 | log: Optional[Path] = EntryArgs.log_path, |
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| 180 | quiet: bool = EntryArgs.quiet, |
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| 181 | verbose: bool = EntryArgs.verbose, |
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| 182 | no_setup: bool = EntryArgs.no_setup, |
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| 183 | ) -> Searcher: |
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| 184 | """ |
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| 185 | Binding data from ChEMBL. |
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| 186 | These are 'activity' annotations of the type 'B' that have a pCHEMBL value. |
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| 187 | There is extended documentation on this search; see: |
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| 188 | |||
| 189 | https://mandos-chem.readthedocs.io/en/latest/binding.html |
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| 190 | |||
| 191 | OBJECT: ChEMBL preferred target name |
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| 192 | |||
| 193 | PREDICATE: "binds to" |
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| 194 | |||
| 195 | OTHER COLUMNS: |
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| 196 | |||
| 197 | - taxon_id: From UniProt |
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| 198 | |||
| 199 | - taxon_name: From Uniprot (scientific name) |
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| 200 | |||
| 201 | - pchembl: Negative base-10 log of activity value (see docs on ChEMBL) |
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| 202 | |||
| 203 | - standard_relation: One of '<', '<=', '=', '>=', '>', '~'. Consider using <, <=, and = to indicate hits. |
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| 204 | |||
| 205 | - std_type: e.g. EC50, Kd |
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| 206 | """ |
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| 207 | built = BindingSearch( |
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| 208 | key=key, |
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| 209 | api=Apis.Chembl, |
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| 210 | taxa=Utils.get_taxa(taxa), |
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| 211 | traversal_strategy=traversal, |
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| 212 | allowed_target_types=Utils.get_target_types(target_types), |
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| 213 | min_confidence_score=confidence, |
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| 214 | allowed_relations=Utils.split(relations), |
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| 215 | min_pchembl=min_pchembl, |
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| 216 | banned_flags=Utils.get_flags(banned_flags), |
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| 217 | ) |
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| 218 | return cls._run(built, path, to, check, log, quiet, verbose, no_setup) |
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| 219 | |||
| 220 | |||
| 221 | class EntryChemblMechanism(Entry[MechanismSearch]): |
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| 222 | @classmethod |
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| 223 | def run( |
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| 224 | cls, |
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| 225 | path: Path = EntryArgs.path, |
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| 226 | key: str = EntryArgs.key("chembl:mechanism"), |
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| 227 | to: Optional[Path] = EntryArgs.to, |
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| 228 | taxa: Optional[str] = EntryArgs.taxa, |
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| 229 | traversal: str = EntryArgs.traversal_strategy, |
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| 230 | target_types: str = EntryArgs.target_types, |
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| 231 | min_confidence: Optional[int] = EntryArgs.min_confidence, |
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| 232 | check: bool = EntryArgs.test, |
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| 233 | log: Optional[Path] = EntryArgs.log_path, |
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| 234 | quiet: bool = EntryArgs.quiet, |
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| 235 | verbose: bool = EntryArgs.verbose, |
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| 236 | no_setup: bool = EntryArgs.no_setup, |
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| 237 | ) -> Searcher: |
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| 238 | """ |
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| 239 | Mechanism of action (MoA) data from ChEMBL. |
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| 240 | |||
| 241 | OBJECT: ChEMBL preferred target name |
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| 242 | |||
| 243 | PREDICATE: Target action; e.g. "agonist of" or "positive allosteric modulator of" |
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| 244 | |||
| 245 | OTHER COLUMNS: |
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| 246 | |||
| 247 | - direct_interaction: true or false |
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| 248 | |||
| 249 | - description: From ChEMBL |
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| 250 | |||
| 251 | - exact_target_id: the specifically annotated target, before traversal |
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| 252 | """ |
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| 253 | built = MechanismSearch( |
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| 254 | key=key, |
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| 255 | api=Apis.Chembl, |
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| 256 | taxa=Utils.get_taxa(taxa), |
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| 257 | traversal_strategy=traversal, |
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| 258 | allowed_target_types=Utils.get_target_types(target_types), |
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| 259 | min_confidence_score=min_confidence, |
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| 260 | ) |
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| 261 | return cls._run(built, path, to, check, log, quiet, verbose, no_setup) |
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| 262 | |||
| 263 | |||
| 264 | class EntryChemblTrials(Entry[IndicationSearch]): |
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| 265 | @classmethod |
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| 266 | def run( |
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| 267 | cls, |
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| 268 | path: Path = EntryArgs.path, |
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| 269 | key: str = EntryArgs.key("chembl:trial"), |
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| 270 | to: Optional[Path] = EntryArgs.to, |
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| 271 | min_phase: Optional[int] = EntryArgs.chembl_trial, |
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| 272 | check: bool = EntryArgs.test, |
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| 273 | log: Optional[Path] = EntryArgs.log_path, |
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| 274 | quiet: bool = EntryArgs.quiet, |
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| 275 | verbose: bool = EntryArgs.verbose, |
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| 276 | no_setup: bool = EntryArgs.no_setup, |
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| 277 | ) -> Searcher: |
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| 278 | """ |
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| 279 | Diseases from clinical trials listed in ChEMBL. |
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| 280 | |||
| 281 | OBJECT: MeSH code |
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| 282 | |||
| 283 | PREDICATE: "phase <level> trial" |
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| 284 | """ |
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| 285 | built = IndicationSearch(key=key, api=Apis.Chembl, min_phase=min_phase) |
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| 286 | return cls._run(built, path, to, check, log, quiet, verbose, no_setup) |
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| 287 | |||
| 288 | |||
| 289 | class EntryChemblAtc(Entry[AtcSearch]): |
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| 290 | @classmethod |
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| 291 | def run( |
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| 292 | cls, |
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| 293 | path: Path = EntryArgs.path, |
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| 294 | key: str = EntryArgs.key("chembl:atc"), |
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| 295 | to: Optional[Path] = EntryArgs.to, |
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| 296 | levels: str = EntryArgs.atc_level, |
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| 297 | check: bool = EntryArgs.test, |
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| 298 | log: Optional[Path] = EntryArgs.log_path, |
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| 299 | quiet: bool = EntryArgs.quiet, |
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| 300 | verbose: bool = EntryArgs.verbose, |
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| 301 | no_setup: bool = EntryArgs.no_setup, |
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| 302 | ) -> Searcher: |
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| 303 | """ |
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| 304 | ATC codes from ChEMBL. |
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| 305 | |||
| 306 | OBJECT: ATC Code |
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| 307 | |||
| 308 | PREDICATE: "ATC L<leveL> code" |
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| 309 | """ |
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| 310 | built = AtcSearch( |
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| 311 | key=key, api=Apis.Chembl, levels={int(x.strip()) for x in levels.split(",")} |
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| 312 | ) |
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| 313 | return cls._run(built, path, to, check, log, quiet, verbose, no_setup) |
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| 314 | |||
| 315 | |||
| 316 | class _EntryChemblGo(Entry[GoSearch], metaclass=abc.ABCMeta): |
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| 317 | @classmethod |
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| 318 | def go_type(cls) -> GoType: |
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| 319 | raise NotImplementedError() |
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| 320 | |||
| 321 | @classmethod |
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| 322 | def cmd(cls) -> str: |
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| 323 | me = str(cls.go_type().name) |
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| 324 | return f"chembl:go.{me.lower()}" |
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| 325 | |||
| 326 | @classmethod |
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| 327 | def run( |
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| 328 | cls, |
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| 329 | path: Path = EntryArgs.path, |
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| 330 | key: str = EntryArgs.key("<see above>"), |
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| 331 | to: Optional[Path] = EntryArgs.to, |
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| 332 | taxa: Optional[str] = EntryArgs.taxa, |
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| 333 | traversal_strategy: str = EntryArgs.traversal_strategy, |
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| 334 | target_types: str = EntryArgs.target_types, |
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| 335 | confidence: Optional[int] = EntryArgs.min_confidence, |
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| 336 | relations: str = EntryArgs.relations, |
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| 337 | min_pchembl: float = EntryArgs.min_pchembl, |
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| 338 | banned_flags: Optional[str] = EntryArgs.banned_flags, |
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| 339 | binding_search: Optional[str] = EntryArgs.binding_search_name, |
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| 340 | check: bool = EntryArgs.test, |
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| 341 | log: Optional[Path] = EntryArgs.log_path, |
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| 342 | quiet: bool = EntryArgs.quiet, |
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| 343 | verbose: bool = EntryArgs.verbose, |
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| 344 | no_setup: bool = EntryArgs.no_setup, |
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| 345 | ) -> Searcher: |
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| 346 | """ |
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| 347 | GO terms associated with ChEMBL binding targets. |
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| 348 | |||
| 349 | OBJECT: GO Term name |
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| 350 | |||
| 351 | PREDICATE: "associated with ""Function"|"Process"|"Component"" term" |
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| 352 | |||
| 353 | OTHER COLUMNS: |
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| 354 | See the docs for ``mandos chembl:binding`` |
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| 355 | |||
| 356 | Note: |
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| 357 | |||
| 358 | By default, the key is the "chembl:go.function", "chembl:go.process", or "chembl:go.component". |
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| 359 | |||
| 360 | """ |
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| 361 | if key is None or key == "<see above>": |
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| 362 | key = cls.cmd() |
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| 363 | api = ChemblApi.wrap(Apis.Chembl) |
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| 364 | if binding_search is None: |
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| 365 | binding_clazz = BindingSearch |
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| 366 | else: |
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| 367 | binding_clazz = ReflectionUtils.injection(binding_search, BindingSearch) |
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| 368 | logger.info(f"NOTICE: Passing parameters to {binding_clazz.__qualname__}") |
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| 369 | try: |
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| 370 | binding_search = binding_clazz( |
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| 371 | key=key, |
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| 372 | api=Apis.Chembl, |
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| 373 | taxa=Utils.get_taxa(taxa), |
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| 374 | traversal_strategy=traversal_strategy, |
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| 375 | allowed_target_types=Utils.get_target_types(target_types), |
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| 376 | min_confidence_score=confidence, |
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| 377 | allowed_relations=Utils.split(relations), |
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| 378 | min_pchembl=min_pchembl, |
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| 379 | banned_flags=Utils.get_flags(banned_flags), |
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| 380 | ) |
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| 381 | except (TypeError, ValueError): |
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| 382 | raise InjectionError(f"Failed to build {binding_clazz.__qualname__}") |
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| 383 | built = GoSearch(key, api, cls.go_type(), binding_search) |
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| 384 | return cls._run(built, path, to, check, log, quiet, verbose, no_setup) |
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| 385 | |||
| 386 | |||
| 387 | class EntryGoFunction(_EntryChemblGo): |
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| 388 | @classmethod |
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| 389 | def go_type(cls) -> GoType: |
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| 390 | return GoType.function |
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| 391 | |||
| 392 | |||
| 393 | class EntryGoProcess(_EntryChemblGo): |
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| 394 | @classmethod |
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| 395 | def go_type(cls) -> GoType: |
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| 396 | return GoType.process |
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| 397 | |||
| 398 | |||
| 399 | class EntryGoComponent(_EntryChemblGo): |
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| 400 | @classmethod |
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| 401 | def go_type(cls) -> GoType: |
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| 402 | return GoType.component |
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| 403 | |||
| 404 | |||
| 405 | class EntryPubchemDisease(Entry[DiseaseSearch]): |
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| 406 | @classmethod |
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| 407 | def run( |
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| 408 | cls, |
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| 409 | path: Path = EntryArgs.path, |
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| 410 | key: str = EntryArgs.key("disease.ctd:mesh"), |
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| 411 | to: Optional[Path] = EntryArgs.to, |
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| 412 | check: bool = EntryArgs.test, |
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| 413 | log: Optional[Path] = EntryArgs.log_path, |
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| 414 | quiet: bool = EntryArgs.quiet, |
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| 415 | verbose: bool = EntryArgs.verbose, |
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| 416 | no_setup: bool = EntryArgs.no_setup, |
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| 417 | ) -> Searcher: |
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| 418 | """ |
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| 419 | Diseases in the CTD. |
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| 420 | |||
| 421 | Comparative Toxicogenomics Database. |
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| 422 | |||
| 423 | OBJECT: MeSH code of disease |
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| 424 | |||
| 425 | PREDICATE: "marker/mechanism evidence for" or "disease evidence for" |
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| 426 | """ |
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| 427 | built = DiseaseSearch(key, Apis.Pubchem) |
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| 428 | return cls._run(built, path, to, check, log, quiet, verbose, no_setup) |
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| 429 | |||
| 430 | |||
| 431 | class _EntryPubchemCoOccurrence(Entry[U], metaclass=abc.ABCMeta): |
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| 432 | @classmethod |
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| 433 | def cmd(cls) -> str: |
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| 434 | me = str(cls.get_cooccurrence_type().name) |
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| 435 | return f"lit.pubchem:{me.lower()}" |
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| 436 | |||
| 437 | @classmethod |
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| 438 | def get_cooccurrence_type(cls) -> CoOccurrenceType: |
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| 439 | s: CoOccurrenceSearch = cls.get_search_type() |
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| 440 | return s.cooccurrence_type() |
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| 441 | |||
| 442 | @classmethod |
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| 443 | def run( |
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| 444 | cls, |
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| 445 | path: Path = EntryArgs.path, |
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| 446 | key: str = EntryArgs.key("<see above>"), |
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| 447 | to: Optional[Path] = EntryArgs.to, |
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| 448 | min_score: float = EntryArgs.min_cooccurrence_score, |
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| 449 | min_articles: int = EntryArgs.min_cooccurring_articles, |
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| 450 | log: Optional[Path] = EntryArgs.log_path, |
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| 451 | check: bool = EntryArgs.test, |
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| 452 | quiet: bool = EntryArgs.quiet, |
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| 453 | verbose: bool = EntryArgs.verbose, |
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| 454 | no_setup: bool = EntryArgs.no_setup, |
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| 455 | ) -> Searcher: |
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| 456 | """ |
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| 457 | Co-occurrences from PubMed articles. |
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| 458 | There is extended documentation on this search. |
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| 459 | Also refer to https://pubchemdocs.ncbi.nlm.nih.gov/knowledge-panels |
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| 460 | |||
| 461 | OBJECT: Name of gene/chemical/disease |
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| 462 | |||
| 463 | PREDICATE: "co-occurs with <gene/chemical/disease>" |
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| 464 | |||
| 465 | OTHER COLUMNS: |
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| 466 | |||
| 467 | - score: enrichment score; see PubChem docs |
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| 468 | |||
| 469 | - intersect_count: Number of articles co-occurring |
||
| 470 | |||
| 471 | - query_count: Total number of articles for query compound |
||
| 472 | |||
| 473 | - neighbor_count: Total number of articles for target (co-occurring) compound |
||
| 474 | """ |
||
| 475 | if key is None or key == "<see above>": |
||
| 476 | key = cls.cmd() |
||
| 477 | clazz = cls.get_search_type() |
||
| 478 | built = clazz(key, Apis.Pubchem, min_score=min_score, min_articles=min_articles) |
||
| 479 | return cls._run(built, path, to, check, log, quiet, verbose, no_setup) |
||
| 480 | |||
| 481 | |||
| 482 | class EntryPubchemGeneCoOccurrence(_EntryPubchemCoOccurrence[GeneCoOccurrenceSearch]): |
||
| 483 | """""" |
||
| 484 | |||
| 485 | |||
| 486 | class EntryPubchemDiseaseCoOccurrence(_EntryPubchemCoOccurrence[DiseaseCoOccurrenceSearch]): |
||
| 487 | """""" |
||
| 488 | |||
| 489 | |||
| 490 | class EntryPubchemChemicalCoOccurrence(_EntryPubchemCoOccurrence[ChemicalCoOccurrenceSearch]): |
||
| 491 | """""" |
||
| 492 | |||
| 493 | |||
| 494 | class EntryPubchemDgi(Entry[DgiSearch]): |
||
| 495 | @classmethod |
||
| 496 | def run( |
||
| 497 | cls, |
||
| 498 | path: Path = EntryArgs.path, |
||
| 499 | key: str = EntryArgs.key("inter.dgidb:gene"), |
||
| 500 | to: Optional[Path] = EntryArgs.to, |
||
| 501 | log: Optional[Path] = EntryArgs.log_path, |
||
| 502 | check: bool = EntryArgs.test, |
||
| 503 | quiet: bool = EntryArgs.quiet, |
||
| 504 | verbose: bool = EntryArgs.verbose, |
||
| 505 | no_setup: bool = EntryArgs.no_setup, |
||
| 506 | ) -> Searcher: |
||
| 507 | """ |
||
| 508 | Drug/gene interactions in the DGIDB. |
||
| 509 | |||
| 510 | Drug Gene Interaction Database. |
||
| 511 | Also see ``disease.dgidb:int``. |
||
| 512 | |||
| 513 | OBJECT: Name of the gene |
||
| 514 | |||
| 515 | PREDICATE: "interacts with gene" |
||
| 516 | """ |
||
| 517 | built = DgiSearch(key, Apis.Pubchem) |
||
| 518 | return cls._run(built, path, to, check, log, quiet, verbose, no_setup) |
||
| 519 | |||
| 520 | |||
| 521 | class EntryPubchemCgi(Entry[CtdGeneSearch]): |
||
| 522 | @classmethod |
||
| 523 | def run( |
||
| 524 | cls, |
||
| 525 | path: Path = EntryArgs.path, |
||
| 526 | key: str = EntryArgs.key("inter.ctd:gene"), |
||
| 527 | to: Optional[Path] = EntryArgs.to, |
||
| 528 | log: Optional[Path] = EntryArgs.log_path, |
||
| 529 | check: bool = EntryArgs.test, |
||
| 530 | quiet: bool = EntryArgs.quiet, |
||
| 531 | verbose: bool = EntryArgs.verbose, |
||
| 532 | no_setup: bool = EntryArgs.no_setup, |
||
| 533 | ) -> Searcher: |
||
| 534 | """ |
||
| 535 | Compound/gene interactions in the DGIDB. |
||
| 536 | |||
| 537 | Drug Gene Interaction Database. |
||
| 538 | Also see ``interact.dgidb:int``. |
||
| 539 | |||
| 540 | OBJECT: Name of the gene |
||
| 541 | |||
| 542 | PREDICATE: "compound/gene interaction" |
||
| 543 | |||
| 544 | """ |
||
| 545 | built = CtdGeneSearch(key, Apis.Pubchem) |
||
| 546 | return cls._run(built, path, to, check, log, quiet, verbose, no_setup) |
||
| 547 | |||
| 548 | |||
| 549 | class EntryDrugbankTarget(Entry[DrugbankTargetSearch]): |
||
| 550 | View Code Duplication | @classmethod |
|
| 551 | def run( |
||
| 552 | cls, |
||
| 553 | path: Path = EntryArgs.path, |
||
| 554 | key: str = EntryArgs.key("inter.drugbank:target"), |
||
| 555 | to: Optional[Path] = EntryArgs.to, |
||
| 556 | check: bool = EntryArgs.test, |
||
| 557 | log: Optional[Path] = EntryArgs.log_path, |
||
| 558 | quiet: bool = EntryArgs.quiet, |
||
| 559 | verbose: bool = EntryArgs.verbose, |
||
| 560 | no_setup: bool = EntryArgs.no_setup, |
||
| 561 | ) -> Searcher: |
||
| 562 | """ |
||
| 563 | Protein targets from DrugBank. |
||
| 564 | |||
| 565 | OBJECT: Target name (e.g. "Solute carrier family 22 member 11") from DrugBank |
||
| 566 | |||
| 567 | PREDICATE: Action (e.g. "binder", "downregulator", or "agonist") |
||
| 568 | """ |
||
| 569 | built = DrugbankTargetSearch(key, Apis.Pubchem, {DrugbankTargetType.target}) |
||
| 570 | return cls._run(built, path, to, check, log, quiet, verbose, no_setup) |
||
| 571 | |||
| 572 | |||
| 573 | class EntryGeneralFunction(Entry[DrugbankGeneralFunctionSearch]): |
||
| 574 | View Code Duplication | @classmethod |
|
| 575 | def run( |
||
| 576 | cls, |
||
| 577 | path: Path = EntryArgs.path, |
||
| 578 | key: str = EntryArgs.key("inter.drugbank:target-fn"), |
||
| 579 | to: Optional[Path] = EntryArgs.to, |
||
| 580 | check: bool = EntryArgs.test, |
||
| 581 | log: Optional[Path] = EntryArgs.log_path, |
||
| 582 | quiet: bool = EntryArgs.quiet, |
||
| 583 | verbose: bool = EntryArgs.verbose, |
||
| 584 | no_setup: bool = EntryArgs.no_setup, |
||
| 585 | ) -> Searcher: |
||
| 586 | """ |
||
| 587 | General functions from DrugBank targets. |
||
| 588 | |||
| 589 | OBJECT: Name of the general function (e.g. "Toxic substance binding") |
||
| 590 | |||
| 591 | PREDICATE: against on target (e.g. "binder", "downregulator", or "agonist"). |
||
| 592 | """ |
||
| 593 | built = DrugbankGeneralFunctionSearch(key, Apis.Pubchem, {DrugbankTargetType.target}) |
||
| 594 | return cls._run(built, path, to, check, log, quiet, verbose, no_setup) |
||
| 595 | |||
| 596 | |||
| 597 | class EntryDrugbankTransporter(Entry[DrugbankTargetSearch]): |
||
| 598 | View Code Duplication | @classmethod |
|
| 599 | def run( |
||
| 600 | cls, |
||
| 601 | path: Path = EntryArgs.path, |
||
| 602 | key: str = EntryArgs.key("inter.drugbank:pk"), |
||
| 603 | to: Optional[Path] = EntryArgs.to, |
||
| 604 | check: bool = EntryArgs.test, |
||
| 605 | log: Optional[Path] = EntryArgs.log_path, |
||
| 606 | quiet: bool = EntryArgs.quiet, |
||
| 607 | verbose: bool = EntryArgs.verbose, |
||
| 608 | no_setup: bool = EntryArgs.no_setup, |
||
| 609 | ) -> Searcher: |
||
| 610 | """ |
||
| 611 | PK-related proteins from DrugBank. |
||
| 612 | |||
| 613 | OBJECT: Transporter name (e.g. "Solute carrier family 22 member 11") from DrugBank |
||
| 614 | |||
| 615 | PREDICATE: "transported by", "carried by", or "metabolized by" |
||
| 616 | """ |
||
| 617 | target_types = { |
||
| 618 | DrugbankTargetType.transporter, |
||
| 619 | DrugbankTargetType.carrier, |
||
| 620 | DrugbankTargetType.enzyme, |
||
| 621 | } |
||
| 622 | built = DrugbankTargetSearch(key, Apis.Pubchem, target_types) |
||
| 623 | return cls._run(built, path, to, check, log, quiet, verbose, no_setup) |
||
| 624 | |||
| 625 | |||
| 626 | class EntryTransporterGeneralFunction(Entry[DrugbankGeneralFunctionSearch]): |
||
| 627 | View Code Duplication | @classmethod |
|
| 628 | def run( |
||
| 629 | cls, |
||
| 630 | path: Path = EntryArgs.path, |
||
| 631 | key: str = EntryArgs.key("inter.drugbank:pk-fn"), |
||
| 632 | to: Optional[Path] = EntryArgs.to, |
||
| 633 | check: bool = EntryArgs.test, |
||
| 634 | log: Optional[Path] = EntryArgs.log_path, |
||
| 635 | quiet: bool = EntryArgs.quiet, |
||
| 636 | verbose: bool = EntryArgs.verbose, |
||
| 637 | no_setup: bool = EntryArgs.no_setup, |
||
| 638 | ) -> Searcher: |
||
| 639 | """ |
||
| 640 | DrugBank PK-related protein functions. |
||
| 641 | |||
| 642 | OBJECT: Name of the general function (e.g. "Toxic substance binding") |
||
| 643 | |||
| 644 | PREDICATE: "transported by", "carried by", or "metabolized by" |
||
| 645 | """ |
||
| 646 | target_types = { |
||
| 647 | DrugbankTargetType.transporter, |
||
| 648 | DrugbankTargetType.carrier, |
||
| 649 | DrugbankTargetType.enzyme, |
||
| 650 | } |
||
| 651 | built = DrugbankGeneralFunctionSearch(key, Apis.Pubchem, target_types) |
||
| 652 | return cls._run(built, path, to, check, log, quiet, verbose, no_setup) |
||
| 653 | |||
| 654 | |||
| 655 | class EntryDrugbankDdi(Entry[DrugbankDdiSearch]): |
||
| 656 | @classmethod |
||
| 657 | def run( |
||
| 658 | cls, |
||
| 659 | path: Path = EntryArgs.path, |
||
| 660 | key: str = EntryArgs.key("inter.drugbank:ddi"), |
||
| 661 | to: Optional[Path] = EntryArgs.to, |
||
| 662 | check: bool = EntryArgs.test, |
||
| 663 | log: Optional[Path] = EntryArgs.log_path, |
||
| 664 | quiet: bool = EntryArgs.quiet, |
||
| 665 | verbose: bool = EntryArgs.verbose, |
||
| 666 | no_setup: bool = EntryArgs.no_setup, |
||
| 667 | ) -> Searcher: |
||
| 668 | """ |
||
| 669 | Drug/drug interactions listed by DrugBank. |
||
| 670 | |||
| 671 | The 'description' column includes useful information about the interaction, |
||
| 672 | such as diseases and whether a risk is increased or decreased. |
||
| 673 | |||
| 674 | OBJECT: name of the drug (e.g. "ibuprofen") |
||
| 675 | |||
| 676 | PREDICATE: "ddi" |
||
| 677 | """ |
||
| 678 | built = DrugbankDdiSearch(key, Apis.Pubchem) |
||
| 679 | return cls._run(built, path, to, check, log, quiet, verbose, no_setup) |
||
| 680 | |||
| 681 | |||
| 682 | class EntryPubchemAssay(Entry[BioactivitySearch]): |
||
| 683 | @classmethod |
||
| 684 | def run( |
||
| 685 | cls, |
||
| 686 | path: Path = EntryArgs.path, |
||
| 687 | key: str = EntryArgs.key("assay.pubchem:activity"), |
||
| 688 | to: Optional[Path] = EntryArgs.to, |
||
| 689 | name_must_match: bool = EntryArgs.name_must_match, |
||
| 690 | ban_sources: Optional[str] = None, |
||
| 691 | check: bool = EntryArgs.test, |
||
| 692 | log: Optional[Path] = EntryArgs.log_path, |
||
| 693 | quiet: bool = EntryArgs.quiet, |
||
| 694 | verbose: bool = EntryArgs.verbose, |
||
| 695 | no_setup: bool = EntryArgs.no_setup, |
||
| 696 | ) -> Searcher: |
||
| 697 | """ |
||
| 698 | PubChem bioactivity results. |
||
| 699 | |||
| 700 | Note: The species name, if present, is taken from the target name. |
||
| 701 | The taxon ID is what was curated in PubChem. |
||
| 702 | |||
| 703 | OBJECT: Name of the target without species suffix (e.g. "Slc6a3 - solute carrier family 6 member 3") |
||
| 704 | |||
| 705 | PREDICATE: "active"|"inactive"|"inconclusive"|"undetermined" |
||
| 706 | |||
| 707 | SOURCE: "PubChem: <referrer> "(""confirmatory"|"literature"|"other"")" |
||
| 708 | """ |
||
| 709 | built = BioactivitySearch(key, Apis.Pubchem, compound_name_must_match=name_must_match) |
||
| 710 | return cls._run(built, path, to, check, log, quiet, verbose, no_setup) |
||
| 711 | |||
| 712 | |||
| 713 | class EntryDeaSchedule(Entry[BioactivitySearch]): |
||
| 714 | @classmethod |
||
| 715 | def run( |
||
| 716 | cls, |
||
| 717 | path: Path = EntryArgs.path, |
||
| 718 | key: str = EntryArgs.key("drug.dea:schedule"), |
||
| 719 | to: Optional[Path] = EntryArgs.to, |
||
| 720 | check: bool = EntryArgs.test, |
||
| 721 | log: Optional[Path] = EntryArgs.log_path, |
||
| 722 | quiet: bool = EntryArgs.quiet, |
||
| 723 | verbose: bool = EntryArgs.verbose, |
||
| 724 | no_setup: bool = EntryArgs.no_setup, |
||
| 725 | ) -> Searcher: |
||
| 726 | """ |
||
| 727 | DEA schedules (PENDING). |
||
| 728 | |||
| 729 | OBJECT: (1 to 4, or "unscheduled") |
||
| 730 | |||
| 731 | PREDICATE: "has DEA schedule" |
||
| 732 | """ |
||
| 733 | pass |
||
| 734 | |||
| 735 | |||
| 736 | class EntryDeaClass(Entry[BioactivitySearch]): |
||
| 737 | @classmethod |
||
| 738 | def run( |
||
| 739 | cls, |
||
| 740 | path: Path = EntryArgs.path, |
||
| 741 | key: str = EntryArgs.key("drug.dea:class"), |
||
| 742 | to: Optional[Path] = EntryArgs.to, |
||
| 743 | check: bool = EntryArgs.test, |
||
| 744 | log: Optional[Path] = EntryArgs.log_path, |
||
| 745 | quiet: bool = EntryArgs.quiet, |
||
| 746 | verbose: bool = EntryArgs.verbose, |
||
| 747 | no_setup: bool = EntryArgs.no_setup, |
||
| 748 | ) -> Searcher: |
||
| 749 | """ |
||
| 750 | DEA classes (PENDING). |
||
| 751 | |||
| 752 | OBJECT: e.g. "hallucinogen" |
||
| 753 | |||
| 754 | PREDICATE: "is in DEA class" |
||
| 755 | """ |
||
| 756 | pass |
||
| 757 | |||
| 758 | |||
| 759 | class EntryChemidPlusAcute(Entry[AcuteEffectSearch]): |
||
| 760 | @classmethod |
||
| 761 | def run( |
||
| 762 | cls, |
||
| 763 | path: Path = EntryArgs.path, |
||
| 764 | key: str = EntryArgs.key("tox.chemidplus:acute"), |
||
| 765 | to: Optional[Path] = EntryArgs.to, |
||
| 766 | level: int = EntryArgs.acute_effect_level, |
||
| 767 | check: bool = EntryArgs.test, |
||
| 768 | log: Optional[Path] = EntryArgs.log_path, |
||
| 769 | quiet: bool = EntryArgs.quiet, |
||
| 770 | verbose: bool = EntryArgs.verbose, |
||
| 771 | no_setup: bool = EntryArgs.no_setup, |
||
| 772 | ) -> Searcher: |
||
| 773 | """ |
||
| 774 | Acute effect codes from ChemIDPlus. |
||
| 775 | |||
| 776 | OBJECT: E.g. "behavioral: excitement" |
||
| 777 | |||
| 778 | PREDICATE: "causes acute effect" |
||
| 779 | |||
| 780 | OTHER COLUMNS: |
||
| 781 | |||
| 782 | - organism: e.g. 'women', 'infant', 'men', 'human', 'dog', 'domestic animals - sheep and goats' |
||
| 783 | - human: true or false |
||
| 784 | - test_type: e.g. 'TDLo' |
||
| 785 | - route: e.g. 'skin' |
||
| 786 | - mg_per_kg: e.g. 17.5 |
||
| 787 | """ |
||
| 788 | built = AcuteEffectSearch( |
||
| 789 | key, |
||
| 790 | Apis.Pubchem, |
||
| 791 | top_level=level == 1, |
||
| 792 | ) |
||
| 793 | return cls._run(built, path, to, check, log, quiet, verbose, no_setup) |
||
| 794 | |||
| 795 | |||
| 796 | class EntryChemidPlusLd50(Entry[Ld50Search]): |
||
| 797 | @classmethod |
||
| 798 | def run( |
||
| 799 | cls, |
||
| 800 | path: Path = EntryArgs.path, |
||
| 801 | key: str = EntryArgs.key("tox.chemidplus:ld50"), |
||
| 802 | to: Optional[Path] = EntryArgs.to, |
||
| 803 | check: bool = EntryArgs.test, |
||
| 804 | log: Optional[Path] = EntryArgs.log_path, |
||
| 805 | quiet: bool = EntryArgs.quiet, |
||
| 806 | verbose: bool = EntryArgs.verbose, |
||
| 807 | no_setup: bool = EntryArgs.no_setup, |
||
| 808 | ) -> Searcher: |
||
| 809 | """ |
||
| 810 | LD50 acute effects from ChemIDPlus. |
||
| 811 | |||
| 812 | OBJECT: A dose in mg/kg (e.g. 3100) |
||
| 813 | |||
| 814 | PREDICATE: "LD50 :: <route>" (e.g. "LD50 :: intravenous) |
||
| 815 | |||
| 816 | OTHER COLUMNS: |
||
| 817 | |||
| 818 | - organism: e.g. 'women', 'infant', 'men', 'human', 'dog', 'domestic animals - sheep and goats' |
||
| 819 | - human: true or false |
||
| 820 | """ |
||
| 821 | built = Ld50Search(key, Apis.Pubchem) |
||
| 822 | return cls._run(built, path, to, check, log, quiet, verbose, no_setup) |
||
| 823 | |||
| 824 | |||
| 825 | class EntryHmdbTissue(Entry[BioactivitySearch]): |
||
| 826 | @classmethod |
||
| 827 | def run( |
||
| 828 | cls, |
||
| 829 | path: Path = EntryArgs.path, |
||
| 830 | key: str = EntryArgs.key("hmdb:tissue"), |
||
| 831 | to: Optional[Path] = EntryArgs.to, |
||
| 832 | min_nanomolar: Optional[float] = None, |
||
| 833 | check: bool = EntryArgs.test, |
||
| 834 | log: Optional[Path] = EntryArgs.log_path, |
||
| 835 | quiet: bool = EntryArgs.quiet, |
||
| 836 | verbose: bool = EntryArgs.verbose, |
||
| 837 | no_setup: bool = EntryArgs.no_setup, |
||
| 838 | ) -> Searcher: |
||
| 839 | """ |
||
| 840 | Tissue concentrations from HMDB (PENDING). |
||
| 841 | |||
| 842 | OBJECT: |
||
| 843 | |||
| 844 | PREDICATE: "tissue" |
||
| 845 | """ |
||
| 846 | pass |
||
| 847 | |||
| 848 | |||
| 849 | class EntryHmdbComputed(Entry[BioactivitySearch]): |
||
| 850 | @classmethod |
||
| 851 | def run( |
||
| 852 | cls, |
||
| 853 | path: Path = EntryArgs.path, |
||
| 854 | key: str = EntryArgs.key("hmdb:computed"), |
||
| 855 | to: Optional[Path] = EntryArgs.to, |
||
| 856 | min_nanomolar: Optional[float] = None, |
||
| 857 | check: bool = EntryArgs.test, |
||
| 858 | log: Optional[Path] = EntryArgs.log_path, |
||
| 859 | quiet: bool = EntryArgs.quiet, |
||
| 860 | verbose: bool = EntryArgs.verbose, |
||
| 861 | no_setup: bool = EntryArgs.no_setup, |
||
| 862 | ) -> Searcher: |
||
| 863 | """ |
||
| 864 | Computed properties from HMDB (PENDING). |
||
| 865 | |||
| 866 | Keys include pKa, logP, logS, etc. |
||
| 867 | |||
| 868 | OBJECT: A number; booleans are converted to 0/1 |
||
| 869 | |||
| 870 | PREDICATE: The name of the property |
||
| 871 | """ |
||
| 872 | pass |
||
| 873 | |||
| 874 | |||
| 875 | class EntryPubchemReact(Entry[BioactivitySearch]): |
||
| 876 | @classmethod |
||
| 877 | def run( |
||
| 878 | cls, |
||
| 879 | path: Path = EntryArgs.path, |
||
| 880 | key: str = EntryArgs.key("inter.pubchem:react"), |
||
| 881 | to: Optional[Path] = EntryArgs.to, |
||
| 882 | check: bool = EntryArgs.test, |
||
| 883 | log: Optional[Path] = EntryArgs.log_path, |
||
| 884 | quiet: bool = EntryArgs.quiet, |
||
| 885 | verbose: bool = EntryArgs.verbose, |
||
| 886 | no_setup: bool = EntryArgs.no_setup, |
||
| 887 | ) -> Searcher: |
||
| 888 | """ |
||
| 889 | Metabolic reactions (PENDING). |
||
| 890 | |||
| 891 | OBJECT: Equation |
||
| 892 | |||
| 893 | PREDICATE: "<pathway>" |
||
| 894 | """ |
||
| 895 | pass |
||
| 896 | |||
| 897 | |||
| 898 | class EntryPubchemComputed(Entry[ComputedPropertySearch]): |
||
| 899 | @classmethod |
||
| 900 | def run( |
||
| 901 | cls, |
||
| 902 | path: Path = EntryArgs.path, |
||
| 903 | key: str = EntryArgs.key("chem.pubchem:computed"), |
||
| 904 | keys: str = EntryArgs.pubchem_computed_keys, |
||
| 905 | to: Optional[Path] = EntryArgs.to, |
||
| 906 | check: bool = EntryArgs.test, |
||
| 907 | log: Optional[Path] = EntryArgs.log_path, |
||
| 908 | quiet: bool = EntryArgs.quiet, |
||
| 909 | verbose: bool = EntryArgs.verbose, |
||
| 910 | no_setup: bool = EntryArgs.no_setup, |
||
| 911 | ) -> Searcher: |
||
| 912 | """ |
||
| 913 | Computed properties from PubChem. |
||
| 914 | |||
| 915 | OBJECT: Number |
||
| 916 | |||
| 917 | PREDICATE: e.g. "complexity" |
||
| 918 | """ |
||
| 919 | # replace acronyms, etc. |
||
| 920 | # ComputedPropertySearch standardizes punctuation and casing |
||
| 921 | known = { |
||
| 922 | k: v |
||
| 923 | for k, v in { |
||
| 924 | **EntryArgs.KNOWN_USEFUL_KEYS, |
||
| 925 | **EntryArgs.KNOWN_USELESS_KEYS, |
||
| 926 | } |
||
| 927 | if v is not None |
||
| 928 | } |
||
| 929 | keys = {known.get(s.strip(), s) for s in keys.split(",")} |
||
| 930 | built = ComputedPropertySearch(key, Apis.Pubchem, descriptors=keys, source="PubChem") |
||
| 931 | return cls._run(built, path, to, check, log, quiet, verbose, no_setup) |
||
| 932 | |||
| 933 | |||
| 934 | class EntryDrugbankAdmet(Entry[DrugbankTargetSearch]): |
||
| 935 | @classmethod |
||
| 936 | def run( |
||
| 937 | cls, |
||
| 938 | path: Path = EntryArgs.path, |
||
| 939 | key: str = EntryArgs.key("drugbank.admet:properties"), |
||
| 940 | to: Optional[Path] = EntryArgs.to, |
||
| 941 | check: bool = EntryArgs.test, |
||
| 942 | log: Optional[Path] = EntryArgs.log_path, |
||
| 943 | quiet: bool = EntryArgs.quiet, |
||
| 944 | verbose: bool = EntryArgs.verbose, |
||
| 945 | no_setup: bool = EntryArgs.no_setup, |
||
| 946 | ) -> Searcher: |
||
| 947 | """ |
||
| 948 | Enzyme predictions from DrugBank (PENDING). |
||
| 949 | |||
| 950 | OBJECT: Enzyme name |
||
| 951 | |||
| 952 | PREDICATE: Action |
||
| 953 | """ |
||
| 954 | |||
| 955 | |||
| 956 | class EntryDrugbankMetabolites(Entry[DrugbankTargetSearch]): |
||
| 957 | @classmethod |
||
| 958 | def run( |
||
| 959 | cls, |
||
| 960 | path: Path = EntryArgs.path, |
||
| 961 | key: str = EntryArgs.key("drugbank.admet:metabolites"), |
||
| 962 | to: Optional[Path] = EntryArgs.to, |
||
| 963 | check: bool = EntryArgs.test, |
||
| 964 | log: Optional[Path] = EntryArgs.log_path, |
||
| 965 | quiet: bool = EntryArgs.quiet, |
||
| 966 | verbose: bool = EntryArgs.verbose, |
||
| 967 | no_setup: bool = EntryArgs.no_setup, |
||
| 968 | ) -> Searcher: |
||
| 969 | """ |
||
| 970 | Metabolites from DrugBank (PENDING). |
||
| 971 | |||
| 972 | OBJECT: Compound name (e.g. "norcocaine"). |
||
| 973 | |||
| 974 | PREDICATE: "metabolized to" |
||
| 975 | """ |
||
| 976 | |||
| 977 | |||
| 978 | class EntryDrugbankDosage(Entry[DrugbankTargetSearch]): |
||
| 979 | @classmethod |
||
| 980 | def run( |
||
| 981 | cls, |
||
| 982 | path: Path = EntryArgs.path, |
||
| 983 | key: str = EntryArgs.key("drugbank.admet:dosage"), |
||
| 984 | to: Optional[Path] = EntryArgs.to, |
||
| 985 | check: bool = EntryArgs.test, |
||
| 986 | log: Optional[Path] = EntryArgs.log_path, |
||
| 987 | quiet: bool = EntryArgs.quiet, |
||
| 988 | verbose: bool = EntryArgs.verbose, |
||
| 989 | no_setup: bool = EntryArgs.no_setup, |
||
| 990 | ) -> Searcher: |
||
| 991 | """ |
||
| 992 | Dosage from DrugBank (PENDING). |
||
| 993 | |||
| 994 | OBJECT: concentration in mg/mL |
||
| 995 | |||
| 996 | PREDICATE: "dosage :: <route>" |
||
| 997 | |||
| 998 | OTHER COLUMNS: |
||
| 999 | |||
| 1000 | - form (e.g. liquid) |
||
| 1001 | """ |
||
| 1002 | |||
| 1003 | |||
| 1004 | class EntryMetaRandom(Entry[BioactivitySearch]): |
||
| 1005 | @classmethod |
||
| 1006 | def run( |
||
| 1007 | cls, |
||
| 1008 | path: Path = EntryArgs.path, |
||
| 1009 | key: str = EntryArgs.key("meta:random"), |
||
| 1010 | to: Optional[Path] = EntryArgs.to, |
||
| 1011 | check: bool = EntryArgs.test, |
||
| 1012 | log: Optional[Path] = EntryArgs.log_path, |
||
| 1013 | quiet: bool = EntryArgs.quiet, |
||
| 1014 | verbose: bool = EntryArgs.verbose, |
||
| 1015 | no_setup: bool = EntryArgs.no_setup, |
||
| 1016 | ) -> Searcher: |
||
| 1017 | """ |
||
| 1018 | Random class assignment (PENDING). |
||
| 1019 | |||
| 1020 | OBJECT: 1 thru n-compounds |
||
| 1021 | |||
| 1022 | PREDICATE: "random" |
||
| 1023 | """ |
||
| 1024 | pass |
||
| 1025 | |||
| 1026 | |||
| 1027 | Entries = [ |
||
| 1028 | EntryChemblBinding, |
||
| 1029 | EntryChemblMechanism, |
||
| 1030 | EntryChemblAtc, |
||
| 1031 | EntryChemblTrials, |
||
| 1032 | EntryGoFunction, |
||
| 1033 | EntryGoProcess, |
||
| 1034 | EntryGoComponent, |
||
| 1035 | EntryPubchemDisease, |
||
| 1036 | EntryPubchemGeneCoOccurrence, |
||
| 1037 | EntryPubchemDiseaseCoOccurrence, |
||
| 1038 | EntryPubchemChemicalCoOccurrence, |
||
| 1039 | EntryPubchemDgi, |
||
| 1040 | EntryPubchemCgi, |
||
| 1041 | EntryDrugbankTarget, |
||
| 1042 | EntryGeneralFunction, |
||
| 1043 | EntryDrugbankTransporter, |
||
| 1044 | EntryTransporterGeneralFunction, |
||
| 1045 | EntryDrugbankDdi, |
||
| 1046 | EntryPubchemAssay, |
||
| 1047 | EntryDeaSchedule, |
||
| 1048 | EntryDeaClass, |
||
| 1049 | EntryChemidPlusAcute, |
||
| 1050 | EntryChemidPlusLd50, |
||
| 1051 | EntryHmdbTissue, |
||
| 1052 | EntryPubchemReact, |
||
| 1053 | EntryMetaRandom, |
||
| 1054 | ] |
||
| 1055 |