| Bayesian reaction optimization as a tool for chemical synthesis BJ Shields, J Stevens, J Li, M Parasram, F Damani, JIM Alvarado, ... Nature 590 (7844), 89-96, 2021 | 712 | 2021 |
| Direct C(sp3)–H Cross Coupling Enabled by Catalytic Generation of Chlorine Radicals BJ Shields, AG Doyle Journal of the American Chemical Society 138 (39), 12719-12722, 2016 | 642 | 2016 |
| Long-lived charge-transfer states of nickel (II) aryl halide complexes facilitate bimolecular photoinduced electron transfer BJ Shields, B Kudisch, GD Scholes, AG Doyle Journal of the American Chemical Society 140 (8), 3035-3039, 2018 | 273 | 2018 |
| 3d-d Excited States of Ni(II) Complexes Relevant to Photoredox Catalysis: Spectroscopic Identification and Mechanistic Implications SI Ting, S Garakyaraghi, CM Taliaferro, BJ Shields, GD Scholes, ... Journal of the American Chemical Society 142 (12), 5800-5810, 2020 | 232 | 2020 |
| Mild, redox‐neutral formylation of aryl chlorides through the photocatalytic generation of chlorine radicals MK Nielsen, BJ Shields, J Liu, MJ Williams, MJ Zacuto, AG Doyle Angewandte Chemie International Edition 56 (25), 7191-7194, 2017 | 206 | 2017 |
| Predicting reaction yields via supervised learning AM Zuranski, JI Martinez Alvarado, BJ Shields, AG Doyle Accounts of chemical research 54 (8), 1856-1865, 2021 | 139 | 2021 |
| Nickel/photoredox-catalyzed methylation of (hetero) aryl chlorides using trimethyl orthoformate as a methyl radical source SK Kariofillis, BJ Shields, MA Tekle-Smith, MJ Zacuto, AG Doyle Journal of the American Chemical Society 142 (16), 7683-7689, 2020 | 133 | 2020 |
| Regioselective cross-electrophile coupling of epoxides and (hetero) aryl iodides via Ni/Ti/photoredox catalysis M Parasram, BJ Shields, O Ahmad, T Knauber, AG Doyle ACS catalysis 10 (10), 5821-5827, 2020 | 85 | 2020 |
| Auto-QChem: an automated workflow for the generation and storage of DFT calculations for organic molecules AM Żurański, JY Wang, BJ Shields, AG Doyle Reaction Chemistry & Engineering 7 (6), 1276-1284, 2022 | 30 | 2022 |
| Identifying general reaction conditions by bandit optimization JY Wang, JM Stevens, SK Kariofillis, MJ Tom, DL Golden, J Li, JE Tabora, ... Nature 626 (8001), 1025-1033, 2024 | 28 | 2024 |
| Scoring Methods in Lead Optimization of Molecular Glues L Jia, D Weiss, B Shields, B Claus, V Shanmugasundaram, S Johnson, ... | 2 | 2024 |
| MDFit: automated molecular simulations workflow enables high throughput assessment of ligands-protein dynamics AC Brueckner, B Shields, P Kirubakaran, A Suponya, M Panda, SL Posy, ... Journal of Computer-Aided Molecular Design 38 (1), 24, 2024 | 1 | 2024 |
| Reinforcement learning prioritizes general applicability in reaction optimization JY Wang, JM Stevens, SK Kariofillis, MJ Tom, J Li, JE Tabora, ... | | 2023 |
| Methylation of (hetero) aryl chlorides via halogen photoelimination SK Kariofillis, BJ Shields, MA Tekle-Smith, MJ Zacuto, AG Doyle American Chemical Society SciMeetings 1 (1), 2020 | | 2020 |
| ³d-d Excited States of Ni (II) Complexes Relevant to Photoredox Catalysis: Spectroscopic Identification and Mechanistic Implications SI Ting, S Garakyaraghi, CM Taliaferro, BJ Shields, GD Scholes, ... | | 2020 |
| Photochemistry and Photophysics of Nickel Complexes BJ Shields Princeton, NJ: Princeton University, 2019 | | 2019 |
| J.; Zacuto, MJ; Doyle, AG MK Nielsen, BJ Shields, JM Liu Angew. Chem. Int. Ed 129, 7297, 2017 | | 2017 |
| Direct Csp3-H cross coupling enabled by catalytic generation of halogen atoms B Shields, A Doyle ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
