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Digital 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 ColeyAnalytical Chemistry|February 13, 2024
Generating Molecular Fragmentation Graphs with Autoregressive Neural NetworksSamuel Goldman, Janet Li, 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-KatzJournal of Chemical Information and Modeling|July 5, 2023
Data Sharing in Chemistry: Lessons Learned and a Case for Mandating Structured Reaction DataRocío Mercado, Steven M Kearnes, Connor W ColeyNature Chemistry|March 13, 2025
Designing single-polymer-chain nanoparticles to mimic biomolecular hydration frustrationTianyi Jin, Connor W Coley, Alfredo Alexander-KatzAnalytical Chemistry|October 6, 2015
Multiphase Oscillatory Flow Strategy for in Situ Measurement and Screening of Partition CoefficientsMilad Abolhasani, Connor W Coley, Klavs F JensenPageof 11