Minimal-uncertainty prediction of general drug-likeness based on Bayesian neural networks. - Wiktor Beker; Agnieszka Wolos; Sara Szymkuc; Bartosz A. Grzybowski (Nat. Mach. Intell., 2020)

mCLM: A Function-Infused and Synthesis-Friendly Modular Chemical Language Model. - Carl Edwards; Chi Han; Gawon Lee; Thao Nguyen; Bowen Jin; Chetan Prasad; Sara Szymkuc; Bartosz A. Grzybowski; Ying Diao; Jiawei Han 001; Ge Liu; Hao Peng 009; et al. (CoRR, 2025)