Пример #1
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 public static Double_Vect SlogP_VSA_(ROMol mol, Double_Vect bins = null, bool force = false)
 {
     if (bins == null)
     {
         bins = new Double_Vect(0);
     }
     return(RDKFuncs.calcSlogP_VSA(mol, bins, force));
 }
Пример #2
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 public static double CalcHallKierAlpha(ROMol mol, Double_Vect atomContribs = null)
 => RDKFuncs.calcHallKierAlpha(mol, atomContribs);
Пример #3
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 public static Double_Vect CustomProp_VSA_(ROMol mol, string customPropName, Double_Vect bins, bool force = false)
 => RDKFuncs.calcCustomProp_VSA(mol, customPropName, bins, force);