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ACS Central Science
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June 3, 2017
Prediction of Organic Reaction Outcomes Using Machine Learning
Connor 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 Templates
Esther 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 Prediction
Connor W Coley, Regina Barzilay, William H Green, et al.
Chemical Science
|
June 10, 2022
Similarity based enzymatic retrosynthesis
Karthik Sankaranarayanan, Esther Heid, Connor W Coley, et al.
ACS Central Science
|
September 2, 2021
Evidential Deep Learning for Guided Molecular Property Prediction and Discovery
Ava 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 Optimum
Jenna Fromer, Runzhong Wang, Mrunali Manjrekar, et al.
Digital Discovery
|
January 20, 2025
Schedule optimization for chemical library synthesis
Qianxiang 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 Dataset
Joonyoung F Joung, Mun Hong Fong, Jihye Roh, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
February 13, 2018
Ligand-Mediated Nanocrystal Growth
Stefano Lazzari, Pius M Theiler, Yi Shen, et al.
Chemical Science
|
May 22, 2026
A machine learning-based workflow for transaminase selection
Alexander J Rago, Priyanka Raghavan, Lisandra Santiago-Capeles, et al.
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of 12
Search research articles
Search
Showing results (61-70 of 113) with videos related to
Sort By:
Page
of 12
ACS Central Science
|
June 3, 2017
Prediction of Organic Reaction Outcomes Using Machine Learning
Connor 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 Templates
Esther 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 Prediction
Connor W Coley, Regina Barzilay, William H Green, et al.
Chemical Science
|
June 10, 2022
Similarity based enzymatic retrosynthesis
Karthik Sankaranarayanan, Esther Heid, Connor W Coley, et al.
ACS Central Science
|
September 2, 2021
Evidential Deep Learning for Guided Molecular Property Prediction and Discovery
Ava 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 Optimum
Jenna Fromer, Runzhong Wang, Mrunali Manjrekar, et al.
Digital Discovery
|
January 20, 2025
Schedule optimization for chemical library synthesis
Qianxiang 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 Dataset
Joonyoung F Joung, Mun Hong Fong, Jihye Roh, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
February 13, 2018
Ligand-Mediated Nanocrystal Growth
Stefano Lazzari, Pius M Theiler, Yi Shen, et al.
Chemical Science
|
May 22, 2026
A machine learning-based workflow for transaminase selection
Alexander J Rago, Priyanka Raghavan, Lisandra Santiago-Capeles, et al.
Page
of 12