Bridging Chemical Knowledge and Machine Learning for Performance Prediction of Organic Synthesis.

Zhang, Shuo-Qing; Xu, Li-Cheng; Li, Shu-Wen; Oliveira, João C A; Li, Xin; Ackermann, Lutz; Hong, Xin.

Affiliation

Zhang SQ; Center of Chemistry for Frontier Technologies, Department of Chemistry, State Key Laboratory of Clean Energy Utilization, Zhejiang University, 38 Zheda Road, Hangzhou, 310027, P.âR. China.
Xu LC; Center of Chemistry for Frontier Technologies, Department of Chemistry, State Key Laboratory of Clean Energy Utilization, Zhejiang University, 38 Zheda Road, Hangzhou, 310027, P.âR. China.
Li SW; Center of Chemistry for Frontier Technologies, Department of Chemistry, State Key Laboratory of Clean Energy Utilization, Zhejiang University, 38 Zheda Road, Hangzhou, 310027, P.âR. China.
Oliveira JCA; Institut für Organische und Biomolekulare Chemie, Wöhler Research Institute for Sustainable Chemistry (WISCh), Georg-August-Universität, Tammannstraße 2, 37077, Göttingen, Germany.
Li X; Center of Chemistry for Frontier Technologies, Department of Chemistry, State Key Laboratory of Clean Energy Utilization, Zhejiang University, 38 Zheda Road, Hangzhou, 310027, P.âR. China.
Ackermann L; Institut für Organische und Biomolekulare Chemie, Wöhler Research Institute for Sustainable Chemistry (WISCh), Georg-August-Universität, Tammannstraße 2, 37077, Göttingen, Germany.
Hong X; Center of Chemistry for Frontier Technologies, Department of Chemistry, State Key Laboratory of Clean Energy Utilization, Zhejiang University, 38 Zheda Road, Hangzhou, 310027, P.âR. China.

Chemistry ; 29(6): e202202834, 2023 Jan 27.

Article in En | MEDLINE | ID: mdl-36206170