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F1000Research
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November 5, 2016
Understanding covariate shift in model performance
Georgia McGaughey, W Patrick Walters, Brian Goldman
Proteins
|
June 24, 2004
A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance
Emanuele Perola, W Patrick Walters, Paul S Charifson
Current Opinion in Drug Discovery & Development
|
August 29, 2002
Guiding molecules towards drug-likeness
William J Egan, W Patrick Walters, Mark A Murcko
Journal of Chemical Information and Modeling
|
March 12, 2010
SIML: a fast SIMD algorithm for calculating LINGO chemical similarities on GPUs and CPUs
Imran S Haque, Vijay S Pande, W Patrick Walters
IEEE Transactions on Neural Networks and Learning Systems
|
February 11, 2016
Model-Based Reinforcement Learning for Infinite-Horizon Approximate Optimal Tracking
Rushikesh Kamalapurkar, Lindsey Andrews, Patrick Walters, et al.
Journal of Chemical Information and Modeling
|
August 23, 2011
Anatomy of high-performance 2D similarity calculations
Imran S Haque, Vijay S Pande, W Patrick Walters
Journal of Medicinal Chemistry
|
April 8, 2016
Advances in Computational Medicinal Chemistry: A Reflection on the Evolution of the Field and Perspective Going Forward
Brian K Shoichet, W Patrick Walters, Hualiang Jiang, et al.
Journal of Medicinal Chemistry
|
October 11, 2012
Iterative refinement of a binding pocket model: active computational steering of lead optimization
Rocco Varela, W Patrick Walters, Brian B Goldman, et al.
Journal of Chemical Information and Modeling
|
February 6, 2026
Blind Challenges Let Us See the Path Forward for Predictive Models
John D Chodera, W Patrick Walters, Sriram Kosuri, et al.
Journal of Chemical Information and Modeling
|
February 5, 2024
Thompson Sampling─An Efficient Method for Searching Ultralarge Synthesis on Demand Databases
Kathryn Klarich, Brian Goldman, Trevor Kramer, et al.
Page
of 7
Search research articles
Search
Showing results (21-30 of 66) with videos related to
Sort By:
Page
of 7
F1000Research
|
November 5, 2016
Understanding covariate shift in model performance
Georgia McGaughey, W Patrick Walters, Brian Goldman
Proteins
|
June 24, 2004
A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance
Emanuele Perola, W Patrick Walters, Paul S Charifson
Current Opinion in Drug Discovery & Development
|
August 29, 2002
Guiding molecules towards drug-likeness
William J Egan, W Patrick Walters, Mark A Murcko
Journal of Chemical Information and Modeling
|
March 12, 2010
SIML: a fast SIMD algorithm for calculating LINGO chemical similarities on GPUs and CPUs
Imran S Haque, Vijay S Pande, W Patrick Walters
IEEE Transactions on Neural Networks and Learning Systems
|
February 11, 2016
Model-Based Reinforcement Learning for Infinite-Horizon Approximate Optimal Tracking
Rushikesh Kamalapurkar, Lindsey Andrews, Patrick Walters, et al.
Journal of Chemical Information and Modeling
|
August 23, 2011
Anatomy of high-performance 2D similarity calculations
Imran S Haque, Vijay S Pande, W Patrick Walters
Journal of Medicinal Chemistry
|
April 8, 2016
Advances in Computational Medicinal Chemistry: A Reflection on the Evolution of the Field and Perspective Going Forward
Brian K Shoichet, W Patrick Walters, Hualiang Jiang, et al.
Journal of Medicinal Chemistry
|
October 11, 2012
Iterative refinement of a binding pocket model: active computational steering of lead optimization
Rocco Varela, W Patrick Walters, Brian B Goldman, et al.
Journal of Chemical Information and Modeling
|
February 6, 2026
Blind Challenges Let Us See the Path Forward for Predictive Models
John D Chodera, W Patrick Walters, Sriram Kosuri, et al.
Journal of Chemical Information and Modeling
|
February 5, 2024
Thompson Sampling─An Efficient Method for Searching Ultralarge Synthesis on Demand Databases
Kathryn Klarich, Brian Goldman, Trevor Kramer, et al.
Page
of 7