Connor W. Coley

2020- Chemical Engineering Massachusetts Institute of Technology, Cambridge, MA, United States 
"Connor Coley"
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Klavs Flemming Jensen grad student MIT (E-Tree)
William H. Green grad student 2019 MIT


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Fanwang Meng post-doc
Rocío Mercado post-doc 2021-2022 MIT
Thijs Stuyver post-doc 2021-2022 MIT
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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
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