Having fun with @EvanBolton this morning, taking about databases @emblebi @ChEMBL @pubchem #DataScience #drugdiscovery
RT @JCIM_JCTC
Identifying Novel Inhibitors for Hepatic Organic Anion Transporting Polypeptides by Machine Learning-Based #VirtualScreening #drugdesign
https://pubs.acs.org/doi/10.1021/acs.jcim.1c01460
@ATuerkova @BongersBrandon @GJPvWesten @bzdrazil
#vol62 #issue24 #JCIM #MachineLearning #DeepLearning
Organising drug discovery data @ChEMBL, editor @jcheminf, living in Vienna & Cambridge, all views are my own, she/her/hers