CellChem: Cellular transcriptional responses reshape molecular representation space for efficient and multi-scale drug discovery
Jiaxiao Chen, Letian Lin, Yue Wang, Yifan Lin, Yu Li, Weilin Zhang, Yiwei Fu, Jin Xie, Jintao Zhu, Chao Sun, Guqin Shi, Su Qian, Zheng Wang, Haoyu Lin, Liying Wang, , Jianfeng Pei
CellChem learns cell-guided molecular representations that integrate structure and function, improving drug discovery by capturing cellular response similarities.
bioRxiv · Apr 24, 2026 · PreprintMolecular Biology