Annex: 1

Abbreviation of molecular descriptors	description
b_rotR	Fraction of rotatable bonds
dipoleX	Dipole moment
lip_acc	Lipinski acceptor count
logP (o/w)	Log octanol/water partition coefficient
PEOE_VSA-5	Total positive surface area
PM3_HF	Heat of formation
pmiZ	Principal moment of inertia
SlogP	partition coefficient
AM1_HOMO	Homo energy
AM1_LUMO	Lumo energy
apol	Sum of atomic polarizabilities
E	Potential energy
mr	Molar refractivity
Vdw_area	Van der Waals surface area