Two-dimensional score plot of the principal component analysis of the screening library set (50 known inhibitors and 9950 non-inhibitors) formed by the two most important principal component scores (PC1score versus PC2score) derived from the scoring data.
2012-06-11T01:33:23Z (GMT) by
Known inhibitors are depicted as red circles, non-inhibitors as black squares. A: Surflex_score extracted poses. B: D_Score extracted poses. C: G_Score extracted poses. D: ChemScore extracted poses. E: PMF_Score extracted poses.