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Journal of Chemical Information and Modeling
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April 27, 2023
p<i>K</i><sub>50</sub>─A Rigorous Indicator of Individual Functional Group Acidity/Basicity in Multiprotic Compounds
Robert Fraczkiewicz, Marvin Waldman
Molecular Informatics
|
March 20, 2025
Modeling Carbon Basicity
Robert Fraczkiewicz, Marvin Waldman
Journal of Computer-Aided Molecular Design
|
December 14, 2011
Lions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular design
Robert D Clark, Marvin Waldman
Journal of Computer-Aided Molecular Design
|
August 21, 2015
Tales from the war on error: the art and science of curating QSAR data
Marvin Waldman, Robert Fraczkiewicz, Robert D Clark
Journal of Molecular Graphics & Modelling
|
August 23, 2003
Design of focused and restrained subsets from extremely large virtual libraries
Eric A Jamois, Chien T Lin, Marvin Waldman
Handbook of Experimental Pharmacology
|
August 31, 2015
Using Cheminformatics in Drug Discovery
Michael S Lawless, Marvin Waldman, Robert Fraczkiewicz, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
June 18, 2016
Modeling ADMET
Jayeeta Ghosh, Michael S Lawless, Marvin Waldman, et al.
Journal of Molecular Graphics & Modelling
|
March 23, 2005
LigScore: a novel scoring function for predicting binding affinities
André Krammer, Paul D Kirchhoff, X Jiang, et al.
Journal of Computer-Aided Molecular Design
|
March 19, 2024
The AI-driven Drug Design (AIDD) platform: an interactive multi-parameter optimization system integrating molecular evolution with physiologically based pharmacokinetic simulations
Jeremy Jones, Robert D Clark, Michael S Lawless, et al.
Journal of Cheminformatics
|
July 3, 2014
Using beta binomials to estimate classification uncertainty for ensemble models
Robert D Clark, Wenkel Liang, Adam C Lee, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Journal of Chemical Information and Modeling
|
April 27, 2023
p<i>K</i><sub>50</sub>─A Rigorous Indicator of Individual Functional Group Acidity/Basicity in Multiprotic Compounds
Robert Fraczkiewicz, Marvin Waldman
Molecular Informatics
|
March 20, 2025
Modeling Carbon Basicity
Robert Fraczkiewicz, Marvin Waldman
Journal of Computer-Aided Molecular Design
|
December 14, 2011
Lions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular design
Robert D Clark, Marvin Waldman
Journal of Computer-Aided Molecular Design
|
August 21, 2015
Tales from the war on error: the art and science of curating QSAR data
Marvin Waldman, Robert Fraczkiewicz, Robert D Clark
Journal of Molecular Graphics & Modelling
|
August 23, 2003
Design of focused and restrained subsets from extremely large virtual libraries
Eric A Jamois, Chien T Lin, Marvin Waldman
Handbook of Experimental Pharmacology
|
August 31, 2015
Using Cheminformatics in Drug Discovery
Michael S Lawless, Marvin Waldman, Robert Fraczkiewicz, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
June 18, 2016
Modeling ADMET
Jayeeta Ghosh, Michael S Lawless, Marvin Waldman, et al.
Journal of Molecular Graphics & Modelling
|
March 23, 2005
LigScore: a novel scoring function for predicting binding affinities
André Krammer, Paul D Kirchhoff, X Jiang, et al.
Journal of Computer-Aided Molecular Design
|
March 19, 2024
The AI-driven Drug Design (AIDD) platform: an interactive multi-parameter optimization system integrating molecular evolution with physiologically based pharmacokinetic simulations
Jeremy Jones, Robert D Clark, Michael S Lawless, et al.
Journal of Cheminformatics
|
July 3, 2014
Using beta binomials to estimate classification uncertainty for ensemble models
Robert D Clark, Wenkel Liang, Adam C Lee, et al.
Page
of 2