Title | On the influence of template size, canonicalization and exclusivity for retrosynthesis and reaction prediction applications |
Publication Type | Journal Article |
Year of Publication | 2021 |
Authors | Heid E, Liu J, Aude A, Green WH |
Journal | Journal of Chemical Information and Modeling |
Volume | 62 |
Pagination | 16–26 |
URL | https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c01192 |
DOI | 10.1021/acs.jcim.1c01192 |