An Ensemble Structure and Physicochemical (SPOC) Descriptor for Machine‐Learning Prediction of Chemical Reaction and Molecular Properties
Author:
Affiliation:
1. Center of Basic Molecular Science Department of Chemistry Tsinghua University 100084 Beijing China
2. Haihe Laboratory of Sustainable Chemical Transformations 300192 Tianjin China
Funder
National Natural Science Foundation of China
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Atomic and Molecular Physics, and Optics
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/cphc.202200255
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