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Chemical Science
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August 3, 2022
A focus on simulation and machine learning as complementary tools for chemical space navigation
Matteo Aldeghi, Connor W Coley
Chemical Science
|
October 24, 2022
A graph representation of molecular ensembles for polymer property prediction
Matteo Aldeghi, Connor W Coley
Journal of Chemical Information and Modeling
|
July 26, 2022
Permutation Invariant Graph-to-Sequence Model for Template-Free Retrosynthesis and Reaction Prediction
Zhengkai Tu, Connor W Coley
The Journal of Chemical Physics
|
March 2, 2022
Quantum chemistry-augmented neural networks for reactivity prediction: Performance, generalizability, and explainability
Thijs Stuyver, Connor W Coley
Current Opinion in Chemical Biology
|
October 8, 2021
Editorial overview: Understanding, predicting, and optimizing biomolecular interactions with machine learning
Connor W Coley, Xiao Wang
Journal of Chemical Information and Modeling
|
April 7, 2020
The Synthesizability of Molecules Proposed by Generative Models
Wenhao Gao, Connor W Coley
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 14, 2023
Machine Learning-Guided Computational Screening of New Candidate Reactions with High Bioorthogonal Click Potential
Thijs Stuyver, Connor W Coley
Nature Reviews. Chemistry
|
April 11, 2024
Automation of air-free synthesis
Babak A Mahjour, Connor W Coley
Patterns (New York, N.Y.)
|
March 6, 2023
Computer-aided multi-objective optimization in small molecule discovery
Jenna C Fromer, Connor W Coley
Nature Computational Science
|
June 17, 2024
An algorithmic framework for synthetic cost-aware decision making in molecular design
Jenna C Fromer, Connor W Coley
Page
of 12
Search research articles
Search
Showing results (1-10 of 113) with videos related to
Sort By:
Page
of 12
Chemical Science
|
August 3, 2022
A focus on simulation and machine learning as complementary tools for chemical space navigation
Matteo Aldeghi, Connor W Coley
Chemical Science
|
October 24, 2022
A graph representation of molecular ensembles for polymer property prediction
Matteo Aldeghi, Connor W Coley
Journal of Chemical Information and Modeling
|
July 26, 2022
Permutation Invariant Graph-to-Sequence Model for Template-Free Retrosynthesis and Reaction Prediction
Zhengkai Tu, Connor W Coley
The Journal of Chemical Physics
|
March 2, 2022
Quantum chemistry-augmented neural networks for reactivity prediction: Performance, generalizability, and explainability
Thijs Stuyver, Connor W Coley
Current Opinion in Chemical Biology
|
October 8, 2021
Editorial overview: Understanding, predicting, and optimizing biomolecular interactions with machine learning
Connor W Coley, Xiao Wang
Journal of Chemical Information and Modeling
|
April 7, 2020
The Synthesizability of Molecules Proposed by Generative Models
Wenhao Gao, Connor W Coley
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 14, 2023
Machine Learning-Guided Computational Screening of New Candidate Reactions with High Bioorthogonal Click Potential
Thijs Stuyver, Connor W Coley
Nature Reviews. Chemistry
|
April 11, 2024
Automation of air-free synthesis
Babak A Mahjour, Connor W Coley
Patterns (New York, N.Y.)
|
March 6, 2023
Computer-aided multi-objective optimization in small molecule discovery
Jenna C Fromer, Connor W Coley
Nature Computational Science
|
June 17, 2024
An algorithmic framework for synthetic cost-aware decision making in molecular design
Jenna C Fromer, Connor W Coley
Page
of 12