Table 3.

Correlation coefficients between the initial descriptors and the log10(IC₅₀).

#	Descriptor	Correlation Coefficient
1	MolLogP	0.235
2	NumHAcceptors	−0.011
3	NumHDonors	−0.069
4	NumRotatableBonds	0.103
5	NumHeteroatoms	0.032
6	FractionCSP3	−0.113
7	NumAliphaticRings	−0.215
8	NumAromaticRings	0.099
9	MaxPartialCharge	0.178
10	MinPartialCharge	−0.301
11	MaxAbsPartialCharge	0.329
12	NumChiralCenters	0.226