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Connor W Coley

Showing results (61-70 of 113) with videos related to

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ACS Central Science|June 3, 2017
Prediction of Organic Reaction Outcomes Using Machine LearningConnor W Coley, Regina Barzilay, Tommi S Jaakkola, et al.
Journal of Chemical Information and Modeling|September 29, 2021
EHreact: Extended Hasse Diagrams for the Extraction and Scoring of Enzymatic Reaction TemplatesEsther Heid, Samuel Goldman, Karthik Sankaranarayanan, et al.
Journal of Chemical Information and Modeling|July 12, 2017
Convolutional Embedding of Attributed Molecular Graphs for Physical Property PredictionConnor W Coley, Regina Barzilay, William H Green, et al.
Chemical Science|June 10, 2022
Similarity based enzymatic retrosynthesisKarthik Sankaranarayanan, Esther Heid, Connor W Coley, et al.
ACS Central Science|September 2, 2021
Evidential Deep Learning for Guided Molecular Property Prediction and DiscoveryAva P Soleimany, Alexander Amini, Samuel Goldman, et al.
Journal of Chemical Information and Modeling|May 5, 2025
Batched Bayesian Optimization by Maximizing the Probability of Including the OptimumJenna Fromer, Runzhong Wang, Mrunali Manjrekar, et al.
Digital Discovery|January 20, 2025
Schedule optimization for chemical library synthesisQianxiang Ai, Fanwang Meng, Runzhong Wang, et al.
Angewandte Chemie (International Ed. in English)|July 12, 2024
Reproducing Reaction Mechanisms with Machine-Learning Models Trained on a Large-Scale Mechanistic DatasetJoonyoung F Joung, Mun Hong Fong, Jihye Roh, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|February 13, 2018
Ligand-Mediated Nanocrystal GrowthStefano Lazzari, Pius M Theiler, Yi Shen, et al.
Chemical Science|May 22, 2026
A machine learning-based workflow for transaminase selectionAlexander J Rago, Priyanka Raghavan, Lisandra Santiago-Capeles, et al.
Pageof 12

Showing results (61-70 of 113) with videos related to

Sort By:
Pageof 12
ACS Central Science|June 3, 2017
Prediction of Organic Reaction Outcomes Using Machine LearningConnor W Coley, Regina Barzilay, Tommi S Jaakkola, et al.
Journal of Chemical Information and Modeling|September 29, 2021
EHreact: Extended Hasse Diagrams for the Extraction and Scoring of Enzymatic Reaction TemplatesEsther Heid, Samuel Goldman, Karthik Sankaranarayanan, et al.
Journal of Chemical Information and Modeling|July 12, 2017
Convolutional Embedding of Attributed Molecular Graphs for Physical Property PredictionConnor W Coley, Regina Barzilay, William H Green, et al.
Chemical Science|June 10, 2022
Similarity based enzymatic retrosynthesisKarthik Sankaranarayanan, Esther Heid, Connor W Coley, et al.
ACS Central Science|September 2, 2021
Evidential Deep Learning for Guided Molecular Property Prediction and DiscoveryAva P Soleimany, Alexander Amini, Samuel Goldman, et al.
Journal of Chemical Information and Modeling|May 5, 2025
Batched Bayesian Optimization by Maximizing the Probability of Including the OptimumJenna Fromer, Runzhong Wang, Mrunali Manjrekar, et al.
Digital Discovery|January 20, 2025
Schedule optimization for chemical library synthesisQianxiang Ai, Fanwang Meng, Runzhong Wang, et al.
Angewandte Chemie (International Ed. in English)|July 12, 2024
Reproducing Reaction Mechanisms with Machine-Learning Models Trained on a Large-Scale Mechanistic DatasetJoonyoung F Joung, Mun Hong Fong, Jihye Roh, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|February 13, 2018
Ligand-Mediated Nanocrystal GrowthStefano Lazzari, Pius M Theiler, Yi Shen, et al.
Chemical Science|May 22, 2026
A machine learning-based workflow for transaminase selectionAlexander J Rago, Priyanka Raghavan, Lisandra Santiago-Capeles, et al.
Pageof 12