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from dataclasses import dataclass
from typing import Sequence
from mandos.search.pubchem import PubchemHit, PubchemSearch
@dataclass(frozen=True, order=True, repr=True)
class DrugbankDdiHit(PubchemHit):
""""""
description: str
class DrugbankDdiSearch(PubchemSearch[DrugbankDdiHit]):
@property
def data_source(self) -> str:
return "DrugBank"
def find(self, inchikey: str) -> Sequence[DrugbankDdiHit]:
data = self.api.fetch_data(inchikey)
return [
DrugbankDdiHit(
record_id=None,
origin_inchikey=inchikey,
matched_inchikey=data.names_and_identifiers.inchikey,
compound_id=str(data.cid),
compound_name=data.name,
predicate="ddi",
object_id=dd.drug_drugbank_id,
object_name=dd.drug_drugbank_id,
search_key=self.key,
search_class=self.search_class,
data_source=self.data_source,
description=dd.description,
)
for dd in data.biomolecular_interactions_and_pathways.drugbank_ddis
]
__all__ = ["DrugbankDdiHit", "DrugbankDdiSearch"]
dmyersturnbull /
mandos
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