Title | Machine learning of reaction properties via learned representations of the condensed graph of reaction |
Publication Type | Journal Article |
Year of Publication | 2021 |
Authors | Heid E, Green WH |
Journal | Journal of Chemical Information and Modeling |
Issue | Special Issue: From Reaction Informatics to Chemical Space |
URL | https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c00975 |
DOI | 10.1021/acs.jcim.1c00975 |