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Chemistry (Weinheim an Der Bergstrasse, Germany)|February 14, 2023
Machine Learning-Guided Computational Screening of New Candidate Reactions with High Bioorthogonal Click PotentialThijs Stuyver, Connor W ColeyPatterns (New York, N.Y.)|March 6, 2023
Computer-aided multi-objective optimization in small molecule discoveryJenna C Fromer, Connor W ColeyNature Computational Science|June 17, 2024
An algorithmic framework for synthetic cost-aware decision making in molecular designJenna C Fromer, Connor W ColeyJournal of Chemical Information and Modeling|March 15, 2024
RDCanon: A Python Package for Canonicalizing the Order of Tokens in SMARTS QueriesBabak A Mahjour, Connor W ColeyDigital Discovery|August 21, 2025
Optimization of robotic liquid handling as a capacitated vehicle routing problemGuangqi Wu, Runzhong Wang, Connor W ColeyChemical Science|February 6, 2023
Predictive chemistry: machine learning for reaction deployment, reaction development, and reaction discoveryZhengkai Tu, Thijs Stuyver, Connor W ColeyScientific Data|February 1, 2023
Reaction profiles for quantum chemistry-computed [3 + 2] cycloaddition reactionsThijs Stuyver, Kjell Jorner, Connor W ColeyProceedings of the National Academy of Sciences of the United States of America|October 6, 2025
Generative AI for navigating synthesizable chemical spaceWenhao Gao, Shitong Luo, Connor W ColeyJournal of Cheminformatics|March 16, 2022
Improving the performance of models for one-step retrosynthesis through re-rankingMin Htoo Lin, Zhengkai Tu, Connor W ColeyACS Macro Letters|October 27, 2023
A Computationally Informed Unified View on the Effect of Polarity and Sterics on the Glass Transition in Vinyl-based Polymer MeltsTianyi Jin, Connor W Coley, Alfredo Alexander-KatzPageof 14