23 Data Sets The caret Package GitHub Pages
COX 2 Activity Data From Sutherland O Brien and Weaver 2022 A set of 467 cyclooxygenase 2 COX 2 inhibitors has been assembled from the published work of a single research group with in vitro activities against human recombinant enzyme expressed as IC50 values ranging from 1 nM to >100 uM 53 compounds have indeterminate IC50 values A set of 255 descriptors MOE2D and QikProp