Data Set Augmentation Allows Deep Learning-Based Virtual Screening to Better Generalize to Unseen Target Classes and Highlight Important Binding Interactions.
J Chem Inf Model. 2020 Aug 24;60(8):3722-3730. doi: 10.1021/acs.jcim.0c00263. Epub 2020 Aug 4.
J Chem Inf Model. 2020.
PMID: 32701288
Free PMC article.