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Table 4 Average similarity values of external set molecules (only actives) 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 0.71 0.79
ECFP4 0.41 0.5
ESTATE 0.78 0.94