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Journal of Chemical Information and Modeling
|
December 9, 2024
Ordinal Confidence Level Assignments for Regression Model Predictions
Steven Kearnes, Patrick Riley
Journal of Computer-Aided Molecular Design
|
September 15, 2016
ROCS-derived features for virtual screening
Steven Kearnes, Vijay Pande
Journal of Computer-Aided Molecular Design
|
August 26, 2016
Molecular graph convolutions: moving beyond fingerprints
Steven Kearnes, Kevin McCloskey, Marc Berndl, et al.
Scientific Reports
|
June 24, 2020
Author Correction: Optimization of Molecules via Deep Reinforcement Learning
Zhenpeng Zhou, Steven Kearnes, Li Li, et al.
Scientific Reports
|
July 26, 2019
Optimization of Molecules via Deep Reinforcement Learning
Zhenpeng Zhou, Steven Kearnes, Li Li, et al.
Journal of Medicinal Chemistry
|
May 5, 2022
Defining Levels of Automated Chemical Design
Brian Goldman, Steven Kearnes, Trevor Kramer, et al.
Journal of Medicinal Chemistry
|
May 24, 2019
The Future Is Now: Artificial Intelligence in Drug Discovery
Jürgen Bajorath, Steven Kearnes, W Patrick Walters, et al.
Journal of Medicinal Chemistry
|
July 9, 2020
Artificial Intelligence in Drug Discovery: Into the Great Wide Open
Jürgen Bajorath, Steven Kearnes, W Patrick Walters, et al.
Mbio
|
November 11, 2020
A Targeted Computational Screen of the SWEETLEAD Database Reveals FDA-Approved Compounds with Anti-Dengue Viral Activity
Jasmine Moshiri, David A Constant, Bowen Liu, et al.
Journal of Chemical Theory and Computation
|
September 20, 2017
Prediction Errors of Molecular Machine Learning Models Lower than Hybrid DFT Error
Felix A Faber, Luke Hutchison, Bing Huang, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
Journal of Chemical Information and Modeling
|
December 9, 2024
Ordinal Confidence Level Assignments for Regression Model Predictions
Steven Kearnes, Patrick Riley
Journal of Computer-Aided Molecular Design
|
September 15, 2016
ROCS-derived features for virtual screening
Steven Kearnes, Vijay Pande
Journal of Computer-Aided Molecular Design
|
August 26, 2016
Molecular graph convolutions: moving beyond fingerprints
Steven Kearnes, Kevin McCloskey, Marc Berndl, et al.
Scientific Reports
|
June 24, 2020
Author Correction: Optimization of Molecules via Deep Reinforcement Learning
Zhenpeng Zhou, Steven Kearnes, Li Li, et al.
Scientific Reports
|
July 26, 2019
Optimization of Molecules via Deep Reinforcement Learning
Zhenpeng Zhou, Steven Kearnes, Li Li, et al.
Journal of Medicinal Chemistry
|
May 5, 2022
Defining Levels of Automated Chemical Design
Brian Goldman, Steven Kearnes, Trevor Kramer, et al.
Journal of Medicinal Chemistry
|
May 24, 2019
The Future Is Now: Artificial Intelligence in Drug Discovery
Jürgen Bajorath, Steven Kearnes, W Patrick Walters, et al.
Journal of Medicinal Chemistry
|
July 9, 2020
Artificial Intelligence in Drug Discovery: Into the Great Wide Open
Jürgen Bajorath, Steven Kearnes, W Patrick Walters, et al.
Mbio
|
November 11, 2020
A Targeted Computational Screen of the SWEETLEAD Database Reveals FDA-Approved Compounds with Anti-Dengue Viral Activity
Jasmine Moshiri, David A Constant, Bowen Liu, et al.
Journal of Chemical Theory and Computation
|
September 20, 2017
Prediction Errors of Molecular Machine Learning Models Lower than Hybrid DFT Error
Felix A Faber, Luke Hutchison, Bing Huang, et al.
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of 2