Table S1.The actual pIC50, predicted pIC50 and residual values of molecules both training set and test set of molecules for CoMFA and CoMSIA.

Figure S1. The core part of the training and test set molecules.

Figure S2. Actual versus predicted pIC50 of training and test set molecules for (A) CoMFA and (B) CoMSIA using (steric, electrostatic, hydrophobic and donor fields) 3D-QSAR models.

CBDD_1250_sm_TableS1.doc714KSupporting info item
CBDD_1250_sm_Figures_S1-S2.doc1802KSupporting info item

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