Table 3. Selected descriptors for SVM-Score.

Descriptor	Description
S(vdw_ext)	External protein-ligand vdw contribution to GoldScore value
S(vdw_int)	Internal ligand vdw contribution to GoldScore value
HBD	Number of hydrogen-bond donor groups.
Atype_N_75	N in R–N–R or R–N–X
CIC1	Complementary information content index (neighborhood symmetry of 1-order)
CC	Count of the number of chiral centers (R or S) present in a molecule
JGI4	Mean topological charge index of order 4
CIC1	Complementary information content index (neighborhood symmetry of 1-order)
S_ssCH2	Sum descriptor for carbon with two single bonds.
Atype_N_75	N in R–N–R or R–N–X
HATS6u	Leverage-weighted autocorrelation of lag 6/unweighted

Descriptors selected as the input of SVM-Score and their descriptions.