Marvin Waldman - researchr alias

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Viewing Publication 1 - 8 from 8

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, David W. Miller, Marvin Waldman. jcamd, 38(1):14, December 2024. [doi]

2023

50─A Rigorous Indicator of Individual Functional Group Acidity/Basicity in Multiprotic CompoundsRobert Fraczkiewicz, Marvin Waldman. jcisd, 63(10):3198-3208, May 2023. [doi]

2015

Tales from the war on error: the art and science of curating QSAR dataMarvin Waldman, Robert Fraczkiewicz, Robert D. Clark. jcamd, 29(9):897-910, 2015. [doi]

2014

Using beta binomials to estimate classification uncertainty for ensemble modelsRobert D. Clark, Wenkel Liang, Adam C. Lee, Michael S. Lawless, Robert Fraczkiewicz, Marvin Waldman. jcheminf, 6(1):34, 2014. [doi]

2012

Lions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular designRobert D. Clark, Marvin Waldman. jcamd, 26(1):29-34, 2012. [doi]

2001

Application of structure-based focusing to the estrogen receptorPaul D. Kirchhoff, Rob Brown, Scott Kahn, Marvin Waldman, C. M. Venkatachalam. jcc, 22(10):993-1003, 2001. [doi]

2000

Evaluation of Reagent-Based and Product-Based Strategies in the Design of Combinatorial Library SubsetsEric A. Jamois, Moises Hassan, Marvin Waldman. jcisd, 40(1):63-70, 2000. [doi]

1993

New combining rules for rare gas van der waals parametersMarvin Waldman, Arnold T. Hagler. jcc, 14(9):1077-1084, 1993. [doi]

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