Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Regio-Selectivity Prediction with a Machine-Learned Reaction Representation and On-the-Fly Quantum Mechanical Descriptors
, Authors:
Yanfei Guan, Connor Coley, Haoyang wu, Duminda Ranasinghe, esther heid, Thomas J. Struble, Lagnajit Pattanaik, William H. Green, Klavs F. Jensen
Version 1 posted 03 September 2020
1,230
Downloads
1
Citations