Connor W. Coley
Affiliations: | 2020- | Chemical Engineering | Massachusetts Institute of Technology, Cambridge, MA, United States |
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Parents
Sign in to add mentor| Klavs Flemming Jensen | grad student | MIT (E-Tree) | |
| William H. Green | grad student | 2019 | MIT |
Children
Sign in to add trainee| Fanwang Meng | post-doc | ||
| Rocío Mercado | post-doc | 2021-2022 | MIT |
| Thijs Stuyver | post-doc | 2021-2022 | MIT |
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Publications
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| Raghavan P, Haas BC, Ruos ME, et al. (2023) Dataset Design for Building Models of Chemical Reactivity. Acs Central Science. 9: 2196-2204 |
| Casetti N, Alfonso-Ramos JE, Coley CW, et al. (2023) Combining Molecular Quantum Mechanical Modeling and Machine Learning for Accelerated Reaction Screening and Discovery. Chemistry (Weinheim An Der Bergstrasse, Germany). 29: e202301957 |
| Mercado R, Kearnes SM, Coley CW. (2023) Data Sharing in Chemistry: Lessons Learned and a Case for Mandating Structured Reaction Data. Journal of Chemical Information and Modeling |
| Qian Y, Guo J, Tu Z, et al. (2023) RxnScribe: A Sequence Generation Model for Reaction Diagram Parsing. Journal of Chemical Information and Modeling. 63: 4030-4041 |
| Stuyver T, Coley CW. (2023) Machine Learning-Guided Computational Screening of New Candidate Reactions with High Bioorthogonal Click Potential. Chemistry (Weinheim An Der Bergstrasse, Germany). e202300387 |
| Stuyver T, Jorner K, Coley CW. (2023) Reaction profiles for quantum chemistry-computed [3 + 2] cycloaddition reactions. Scientific Data. 10: 66 |
| Tu Z, Stuyver T, Coley CW. (2022) Predictive chemistry: machine learning for reaction deployment, reaction development, and reaction discovery. Chemical Science. 14: 226-244 |
| Levin I, Liu M, Voigt CA, et al. (2022) Merging enzymatic and synthetic chemistry with computational synthesis planning. Nature Communications. 13: 7747 |
| Tu Z, Coley CW. (2022) Permutation Invariant Graph-to-Sequence Model for Template-Free Retrosynthesis and Reaction Prediction. Journal of Chemical Information and Modeling. 62: 3503-3513 |
| Sankaranarayanan K, Heid E, Coley CW, et al. (2022) Similarity based enzymatic retrosynthesis. Chemical Science. 13: 6039-6053 |