10.6084/m9.figshare.c.3697444_D4.v1
Floriane Montanari
Floriane
Montanari
Barbara Zdrazil
Barbara
Zdrazil
Daniela Digles
Daniela
Digles
Gerhard Ecker
Gerhard
Ecker
MOESM2 of Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning
Springer Nature
2016
BCRP
P-glycoprotein
Open Data
Multi-label classification
Binary relevance
Classifiers chain
Selective inhibition
Polyspecific inhibition
KNIME
Open PHACTS
2016-02-04 05:00:00
Dataset
https://springernature.figshare.com/articles/dataset/MOESM2_of_Selectivity_profiling_of_BCRP_versus_P-gp_inhibition_from_automated_collection_of_polypharmacology_data_to_multi-label_learning/4673062
Additional file 2. The dense dataset (161 compounds) with the label-powerset transformation of the classes.