Bridging Machine Learning and Thermodynamics for Accurate pK (a) Prediction
利用机器学习和热力学实现精确的pK(a)预测
期刊:JACS Au
影响因子:8.7
doi:10.1021/jacsau.4c00271
Luo, Weiliang; Zhou, Gengmo; Zhu, Zhengdan; Yuan, Yannan; Ke, Guolin; Wei, Zhewei; Gao, Zhifeng; Zheng, Hang