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mandos.model.apis.hmdb_support.properties   A

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Complexity

Total Complexity 0

Size/Duplication

Total Lines 29
Duplicated Lines 0 %

Importance

Changes 0
Metric Value
eloc 20
dl 0
loc 29
rs 10
c 0
b 0
f 0
wmc 0
1 
from typing import NamedTuple
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class _Prop(NamedTuple):

            


            
                                                        
            
                                    
            
            

                
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    kind: str

            


            
                                                        
            
                                    
            
            

                
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    source: str

            


            
                                                        
            
                                    
            
            

                
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PREDICTED_PROPERTIES = [

            


            
                                                        
            
                                    
            
            

                
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    _Prop("average_mass", "ChemAxon"),

            


            
                                                        
            
                                    
            
            

                
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    _Prop("logp", "ALOGPS"),

            


            
                                                        
            
                                    
            
            

                
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    _Prop("logs", "ALOGPS"),

            


            
                                                        
            
                                    
            
            

                
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    _Prop("solubility", "ALOGPS"),

            


            
                                                        
            
                                    
            
            

                
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    _Prop("pka_strongest_acidic", "ChemAxon"),

            


            
                                                        
            
                                    
            
            

                
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    _Prop("polar_surface_area", "ChemAxon"),

            


            
                                                        
            
                                    
            
            

                
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    _Prop("polarizability", "ChemAxon"),

            


            
                                                        
            
                                    
            
            

                
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    _Prop("physiological_charge", "ChemAxon"),

            


            
                                                        
            
                                    
            
            

                
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]

            


            
                                                        
            
                                    
            
            

                
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RULES = [

            


            
                                                        
            
                                    
            
            

                
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    _Prop("rule_of_five", "ChemAxon"),

            


            
                                                        
            
                                    
            
            

                
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    _Prop("ghose_filter", "ChemAxon"),

            


            
                                                        
            
                                    
            
            

                
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    _Prop("veber_rule", "ChemAxon"),

            


            
                                                        
            
                                    
            
            

                
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    _Prop("mddr_like_rule", "ChemAxon"),

            


            
                                                        
            
                                    
            
            

                
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]

            


            
                                                        
            
                                    
            
            

                
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__all__ = ["_Prop", "PREDICTED_PROPERTIES", "RULES"]

            


            
                                                        
            
                                    
            
            

                
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