Table 3.

Molecular descriptors used for recursive partition model development

Descriptor class		Descriptors
Structural	2D	MW, Rotlbonds, Hbond acceptor, Hbond Donor
Electrotopological (E-state key)	2D	S_sCH3, S_ssCH2, S_aaCH, S_sssCH, S_tsC, S_dssC, S_aasC, S_sNH2, S_ssNH, S_tN, S_aaN, S_sssN, S_sOH, S_dO, S_ssO, S_sBr
Electronic	2D/3D	Apol, Dipole-mag
Spatial	3D	RadOfGyration, Area, Vm, Density, PMI
Thermodynamic	2D	AlogP98, logP, Molref, Fh2O, Foct
ADME	2D	ADMET_Abos, ADMET_Solu, ADMET_Hepatox, ADMET_CYP2D6, ADMET_PPB