Skip to main content

Table 3 Average similarity values of external set molecules towards active and inactive subsets of training set for ER-LBD

From: Computational methods for prediction of in vitro effects of new chemical structures

Fingerprint Average T against actives Average T against inactives
MACCS 0.59 0.82
ECFP4 0.29 0.56
ESTATE 0.7 0.91