Geometry-based BERT: an experimentally validated deep learning model for molecular property prediction in drug discovery
Xiang Zhang, Chenliang Qian, Bochao Yang, Hongwei Jin, Song Wu, Jie Xia, Fan 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.
Journal of Pharmaceutical Analysis · Oct 10, 2025Peer-reviewedPharmacology & Toxicology