Contains Table S1, Structure, experimental IC50 (µM), predicted IC50 (µM) and residual of training set compounds. Table S2, Structure, experimental IC50 and predicted IC50 of test set compounds. Table
ScNiSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to five Ni and six equivalent Sn atoms. There are four shorter (2.8
This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL2951 (TID: 12186), and it has 22 rows and 1
