Application of a simple diagonal force field to the simulation of cyclopentane conformational dynamics. - Wendy D. Cornell; Maria P. Ha; Yax Sun; Peter A. Kollman (J. Comput. Chem., 1996)

Chemi-net: a graph convolutional network for accurate drug property prediction. - Ke Liu; Xiangyan Sun; Lei Jia; Jun Ma; Haoming Xing; Junqiu Wu; Hua Gao; Yax Sun; Florian Boulnois; Jie Fan 006 (CoRR, 2018)

MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information. - Wouter Heyndrickx; Lewis H. Mervin; Tobias Morawietz; Noé Sturm; Lukas Friedrich; Adam Zalewski; Anastasia Pentina; Lina Humbeck; Martijn Oldenhof; Ritsuya Niwayama; Peter Schmidtke; Nikolas Fechner; et al. (J. Chem. Inf. Model., 2024)