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Journal of Chemical Information and Modeling
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March 15, 2024
RDCanon: A Python Package for Canonicalizing the Order of Tokens in SMARTS Queries
Babak A Mahjour, Connor W Coley
Digital Discovery
|
August 21, 2025
Optimization of robotic liquid handling as a capacitated vehicle routing problem
Guangqi Wu, Runzhong Wang, Connor W Coley
Nature Computational Science
|
January 4, 2024
The promise and pitfalls of AI for molecular and materials synthesis
Nicholas David, Wenhao Sun, Connor W Coley
Nature Communications
|
March 1, 2022
Autonomous platforms for data-driven organic synthesis
Wenhao Gao, Priyanka Raghavan, Connor W Coley
Chemical Science
|
February 6, 2023
Predictive chemistry: machine learning for reaction deployment, reaction development, and reaction discovery
Zhengkai Tu, Thijs Stuyver, Connor W Coley
Scientific Data
|
February 1, 2023
Reaction profiles for quantum chemistry-computed [3 + 2] cycloaddition reactions
Thijs Stuyver, Kjell Jorner, Connor W Coley
Proceedings of the National Academy of Sciences of the United States of America
|
October 6, 2025
Generative AI for navigating synthesizable chemical space
Wenhao Gao, Shitong Luo, Connor W Coley
Analytical Chemistry
|
February 13, 2024
Generating Molecular Fragmentation Graphs with Autoregressive Neural Networks
Samuel Goldman, Janet Li, Connor W Coley
Journal of Cheminformatics
|
March 16, 2022
Improving the performance of models for one-step retrosynthesis through re-ranking
Min Htoo Lin, Zhengkai Tu, Connor W Coley
ACS 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 Melts
Tianyi Jin, Connor W Coley, Alfredo Alexander-Katz
Page
of 12
Search research articles
Search
Showing results (11-20 of 113) with videos related to
Sort By:
Page
of 12
Journal of Chemical Information and Modeling
|
March 15, 2024
RDCanon: A Python Package for Canonicalizing the Order of Tokens in SMARTS Queries
Babak A Mahjour, Connor W Coley
Digital Discovery
|
August 21, 2025
Optimization of robotic liquid handling as a capacitated vehicle routing problem
Guangqi Wu, Runzhong Wang, Connor W Coley
Nature Computational Science
|
January 4, 2024
The promise and pitfalls of AI for molecular and materials synthesis
Nicholas David, Wenhao Sun, Connor W Coley
Nature Communications
|
March 1, 2022
Autonomous platforms for data-driven organic synthesis
Wenhao Gao, Priyanka Raghavan, Connor W Coley
Chemical Science
|
February 6, 2023
Predictive chemistry: machine learning for reaction deployment, reaction development, and reaction discovery
Zhengkai Tu, Thijs Stuyver, Connor W Coley
Scientific Data
|
February 1, 2023
Reaction profiles for quantum chemistry-computed [3 + 2] cycloaddition reactions
Thijs Stuyver, Kjell Jorner, Connor W Coley
Proceedings of the National Academy of Sciences of the United States of America
|
October 6, 2025
Generative AI for navigating synthesizable chemical space
Wenhao Gao, Shitong Luo, Connor W Coley
Analytical Chemistry
|
February 13, 2024
Generating Molecular Fragmentation Graphs with Autoregressive Neural Networks
Samuel Goldman, Janet Li, Connor W Coley
Journal of Cheminformatics
|
March 16, 2022
Improving the performance of models for one-step retrosynthesis through re-ranking
Min Htoo Lin, Zhengkai Tu, Connor W Coley
ACS 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 Melts
Tianyi Jin, Connor W Coley, Alfredo Alexander-Katz
Page
of 12