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Journal of Molecular Graphics & Modelling|August 23, 2003
Design of focused and restrained subsets from extremely large virtual librariesEric A Jamois, Chien T Lin, Marvin WaldmanCurrent Opinion in Chemical Biology|June 27, 2003
Reagent-based and product-based computational approaches in library designEric A JamoisJournal of Chemical Information and Modeling|April 27, 2023
pK50─A Rigorous Indicator of Individual Functional Group Acidity/Basicity in Multiprotic CompoundsRobert Fraczkiewicz, Marvin WaldmanJournal of Computer-Aided Molecular Design|December 14, 2011
Lions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular designRobert D Clark, Marvin WaldmanJournal of Computer-Aided Molecular Design|August 21, 2015
Tales from the war on error: the art and science of curating QSAR dataMarvin Waldman, Robert Fraczkiewicz, Robert D ClarkHandbook of Experimental Pharmacology|August 31, 2015
Using Cheminformatics in Drug DiscoveryMichael S Lawless, Marvin Waldman, Robert Fraczkiewicz, et al.Methods in Molecular Biology (Clifton, N.J.)|June 18, 2016
Modeling ADMETJayeeta Ghosh, Michael S Lawless, Marvin Waldman, et al.Journal of Molecular Graphics & Modelling|March 23, 2005
LigScore: a novel scoring function for predicting binding affinitiesAndré 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 simulationsJeremy Jones, Robert D Clark, Michael S Lawless, et al.Pageof 2