Title | Evaluating Scalable Uncertainty Estimation Methods for Deep Learning Based Molecular Property Prediction |
Publication Type | Journal Article |
Year of Publication | 2020 |
Authors | Scalia G, Grambow CA, Pernici B, Li Y-P, Green WH |
Journal | Journal of Chemical Information and Modeling |
Volume | 60 |
Pagination | 2697-2717 |
URL | https://doi.org/10.1021/acs.jcim.9b00975 |
DOI | 10.1021/acs.jcim.9b00975 |