Enhancing kinase-inhibitor activity and selectivity prediction through contrastive learning
- Yanan Tian
- Ruiqiang Lu
- Xiaoqing Gong
- Wei Zhao
- Yuquan Li
- Xiaorui Wang
- Xinming Jia
- Qin Li
- Yuwei Yang
- Henry H. Y. Tong
- Joel P. Arrais
- Xiaojun Yao
- Huanxiang Liu
2025-12-03