Pharmacology & ToxicologyJournal of Pharmaceutical AnalysisPeer-reviewed
Geometry-based BERT: an experimentally validated deep learning model for molecular property prediction in drug discovery
Xiang Zhang, Chenliang Qian, Bochao Yang…·Liangren Zhang
This paper introduces GEO-BERT, a deep learning model for molecular property prediction, validated through benchmarking and prospective studies on DYRK1A inhibitors.