1) Compiled Mtb activity datasets (TB_full_consolidate_Threshold X.sdf, 18,886 cmps) from many different experimental groups. These data were used as a training set for multiple Bayesian models. The a
A major goal in drug design is the improvement of computational methods for docking and scoring. The Community Structure Activity Resource (CSAR) has collected several data sets from industry and adde
This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL3045 (TID: 11636), and it has 411 rows and
