ChemicalDescriptor {BioNovoGene.BioDeep.Chemoinformatics}

.NET clr documentation

ChemicalDescriptor

Description

Chemical descriptor

Declare

            
# namespace BioNovoGene.BioDeep.Chemoinformatics
export class ChemicalDescriptor {
   AtomDefStereoCount: integer;
   AtomUdefStereoCount: integer;
   BoilingPoint: UnitValue[];
   BondDefStereoCount: integer;
   BondUdefStereoCount: integer;
   CCS: CCS[];
   Color: UnitValue[];
   Complexity: integer;
   ComponentCount: integer;
   CovalentlyBonded: integer;
   Density: UnitValue[];
   ExactMass: double;
   FlashPoint: UnitValue[];
   FormalCharge: integer;
   HeavyAtoms: integer;
   # Hydrogen Bond Acceptor count
   HydrogenAcceptor: integer;
   # Hydrogen Bond Donor Count
   HydrogenDonors: integer;
   IsotopicAtomCount: integer;
   LogP: Value[];
   MeltingPoint: UnitValue[];
   Odor: UnitValue[];
   # Rotatable Bond Count
   RotatableBonds: integer;
   Solubility: UnitValue[];
   Taste: UnitValue[];
   TautoCount: integer;
   TopologicalPolarSurfaceArea: double;
   VaporPressure: UnitValue[];
   # Computed Octanol/Water Partition Coefficient
   XLogP3: double;
   XLogP3_AA: double;
}

        

.NET clr type reference tree

1. use by property member BoilingPoint: UnitValue
2. use by property member CCS: CCS
3. use by property member Color: UnitValue
4. use by property member Density: UnitValue
5. use by property member FlashPoint: UnitValue
6. use by property member LogP: Value
7. use by property member MeltingPoint: UnitValue
8. use by property member Odor: UnitValue
9. use by property member Solubility: UnitValue
10. use by property member Taste: UnitValue
11. use by property member VaporPressure: UnitValue

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