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Chemical Science
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June 25, 2021
Accelerating high-throughput virtual screening through molecular pool-based active learning
David E Graff, Eugene I Shakhnovich, Connor W Coley
Journal of Chemical Information and Modeling
|
June 2, 2025
Optimal Compound Downselection To Promote Diversity and Parallel Chemistry
Jenna C Fromer, Alexandra D Volkova, Connor W Coley
Journal of Chemical Theory and Computation
|
October 9, 2025
Anticipating the Selectivity of Intramolecular Cyclization Reaction Pathways with Neural Network Potentials
Nicholas Casetti, Dylan Anstine, Olexandr Isayev, et al.
Journal of Chemical Information and Modeling
|
September 19, 2023
MIST-CF: Chemical Formula Inference from Tandem Mass Spectra
Samuel Goldman, Jiayi Xin, Joules Provenzano, et al.
Accounts of Chemical Research
|
May 2, 2018
Machine Learning in Computer-Aided Synthesis Planning
Connor W Coley, William H Green, Klavs F Jensen
Journal of Chemical Information and Modeling
|
June 14, 2019
RDChiral: An RDKit Wrapper for Handling Stereochemistry in Retrosynthetic Template Extraction and Application
Connor W Coley, William H Green, Klavs F Jensen
Angewandte Chemie (International Ed. in English)
|
June 27, 2017
Material-Efficient Microfluidic Platform for Exploratory Studies of Visible-Light Photoredox Catalysis
Connor W Coley, Milad Abolhasani, Hongkun Lin, et al.
Matter
|
August 29, 2025
Autonomous Discovery of Functional Random Heteropolymer Blends through Evolutionary Formulation Optimization
Guangqi Wu, Tianyi Jin, Alfredo Alexander-Katz, et al.
Nature Communications
|
December 14, 2022
Merging enzymatic and synthetic chemistry with computational synthesis planning
Itai Levin, Mengjie Liu, Christopher A Voigt, et al.
ACS Nano
|
November 10, 2025
Random Heteropolymers Enable Nonspecific Protein Binding and Loop-Mediated Stabilization
Tianyi Jin, Akorfa Dagadu, Connor W Coley, et al.
Page
of 12
Search research articles
Search
Showing results (31-40 of 113) with videos related to
Sort By:
Page
of 12
Chemical Science
|
June 25, 2021
Accelerating high-throughput virtual screening through molecular pool-based active learning
David E Graff, Eugene I Shakhnovich, Connor W Coley
Journal of Chemical Information and Modeling
|
June 2, 2025
Optimal Compound Downselection To Promote Diversity and Parallel Chemistry
Jenna C Fromer, Alexandra D Volkova, Connor W Coley
Journal of Chemical Theory and Computation
|
October 9, 2025
Anticipating the Selectivity of Intramolecular Cyclization Reaction Pathways with Neural Network Potentials
Nicholas Casetti, Dylan Anstine, Olexandr Isayev, et al.
Journal of Chemical Information and Modeling
|
September 19, 2023
MIST-CF: Chemical Formula Inference from Tandem Mass Spectra
Samuel Goldman, Jiayi Xin, Joules Provenzano, et al.
Accounts of Chemical Research
|
May 2, 2018
Machine Learning in Computer-Aided Synthesis Planning
Connor W Coley, William H Green, Klavs F Jensen
Journal of Chemical Information and Modeling
|
June 14, 2019
RDChiral: An RDKit Wrapper for Handling Stereochemistry in Retrosynthetic Template Extraction and Application
Connor W Coley, William H Green, Klavs F Jensen
Angewandte Chemie (International Ed. in English)
|
June 27, 2017
Material-Efficient Microfluidic Platform for Exploratory Studies of Visible-Light Photoredox Catalysis
Connor W Coley, Milad Abolhasani, Hongkun Lin, et al.
Matter
|
August 29, 2025
Autonomous Discovery of Functional Random Heteropolymer Blends through Evolutionary Formulation Optimization
Guangqi Wu, Tianyi Jin, Alfredo Alexander-Katz, et al.
Nature Communications
|
December 14, 2022
Merging enzymatic and synthetic chemistry with computational synthesis planning
Itai Levin, Mengjie Liu, Christopher A Voigt, et al.
ACS Nano
|
November 10, 2025
Random Heteropolymers Enable Nonspecific Protein Binding and Loop-Mediated Stabilization
Tianyi Jin, Akorfa Dagadu, Connor W Coley, et al.
Page
of 12