| Selected machine learning of HOMO–LUMO gaps with improved data-efficiency B Mazouin, AA Schöpfer, OA von Lilienfeld Materials Advances 3 (22), 8306-8316, 2022 | 21 | 2022 |
| Genetic algorithms for the discovery of homogeneous catalysts S Gallarati, P Van Gerwen, AA Schoepfer, R Laplaza, C Corminboeuf Chimia 77 (1/2), 39-47, 2023 | 9 | 2023 |
| Understanding activity-stability tradeoffs in biocatalysts by enzyme proximity sequencing R Vanella, C Küng, AA Schoepfer, V Doffini, J Ren, MA Nash Nature Communications 15 (1), 1807, 2024 | 6 | 2024 |
| Reaction-Agnostic Featurization of Bidentate Ligands for Bayesian Ridge Regression of Enantioselectivity AA Schoepfer, R Laplaza, MD Wodrich, J Waser, C Corminboeuf ACS catalysis 14 (12), 9302-9312, 2024 | 2 | 2024 |
| Cost-Informed Bayesian Reaction Optimization A Schoepfer, J Weinreich, R Laplaza, J Waser, C Corminboeuf | | 2024 |
| LCSO E Allouche, SGE Amos, F Benfatti, JA Borrel, J Brand, DK Brownsey, ... | | |
| LCMD S Bassetta, JT Blaskovits, L Bomble, EAG Bremond, K Briling, V Bujard, ... | | |
