Zdrazil et al. Annotating Human P-Glycoprotein Bioassay Data (2012)

"QSAR_dataset_198cpds.sdf": sdf file of 198 chemical compounds with chemical structures and bioactivity values included measured in a daunorubicin efflux assay in MDR CCRF vcr1000 cells.

"Classification_dataset_203cpds.sdf": sdf file of 203 chemical compounds being either classified as inhibitors or non-inhibitors of human P-glycoprotein with chemical structures included.


Pinto et al. An In Silico Classification Model for Putative ABCC2 Substrates (2012)