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)); }
public static double CalcHallKierAlpha(ROMol mol, Double_Vect atomContribs = null) => RDKFuncs.calcHallKierAlpha(mol, atomContribs);
public static Double_Vect CustomProp_VSA_(ROMol mol, string customPropName, Double_Vect bins, bool force = false) => RDKFuncs.calcCustomProp_VSA(mol, customPropName, bins, force);