Table 2.

Fraction of molecules that are fingerprint analogues to DRD2 active molecules and respective fraction of DRD2 active molecules with analogues

Origin of dataset	Fraction of molecules that are analogues to DRD2 actives		Fraction of DRD2 actives with analogues
DRD2 chemical space relative to training data	In	All	In	All
Inactive (in)	0.020	0.089	0.197	0.116
Inactive (all)	0.025	0.102	0.242	0.116
Train	0.020	0.071	0.225	0.109
Random	0.024	0.075	0.313	0.120
Prior	0.021	0.071	0.220	0.110
Glide-Agent	0.051	0.124	0.268	0.105
SVM-Agent	0.179	0.563	0.237	0.102

The SVM-Agent generates more analogues to known actives, however, the Glide-Agent generates analogues to more known actives, demonstrating a greater coverage of known active space