Syn-MolOpt: a synthesis planning-driven molecular optimization method using data-derived functional reaction templates
Syn-MolOpt:一种基于数据驱动的功能反应模板的合成规划驱动型分子优化方法
期刊:Journal of Cheminformatics
影响因子:5.7
doi:10.1186/s13321-025-00975-9
Yin, Xiaodan; Wang, Xiaorui; Wu, Zhenxing; Li, Qin; Kang, Yu; Deng, Yafeng; Luo, Pei; Liu, Huanxiang; Shi, Guqin; Wang, Zheng; Yao, Xiaojun; Hsieh, Chang-Yu; Hou, Tingjun