BioinformaticsbioRxivPreprint
Model Choice Metrics to Optimize Profile-QSAR Performance
Stewart He, Sookyung Kim, Kevin McLoughlin…·Jonathan Allen
This paper evaluates pQSAR 2.0's performance on GPCR and safety targets, finding it improves models on some assays but not all, with compound assay coverage being a key factor.
DOI 10.1101/2022.08.22.504151