https://www.selleckchem.com/
To quantify the discriminativeness of a query ligand against target classes, the Kullback-Leibler (K-L) divergence of each query was calculated and compared between targets. 3D similarity-based K-L divergence together with the probability and the feasibility index, (Fm), showed discriminative power with regard to some query-class associations. The K-L divergence of 3D similarity distributions can be an additional method for (1) the rank of the 3D similarity score or (2) the p-value of one 3D similarity distribution to predict the target of unprecedented dru
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