13321_2016_121_MOESM2_ESM.sdf (1.03 MB)
MOESM2 of Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning
dataset
posted on 2016-02-04, 05:00 authored by Floriane Montanari, Barbara Zdrazil, Daniela Digles, Gerhard EckerAdditional file 2. The dense dataset (161 compounds) with the label-powerset transformation of the classes.