Marvin Waldman

Publication Activity (10 Years)

Years Active: 1993-2024
Publications (10 Years): 2

Top Topics

Parameter Optimization

Top Venues

J. Comput. Aided Mol. Des.

J. Cheminformatics

J. Chem. Inf. Model.

Publications

Jeremy Jones, Robert D. Clark, Michael S. Lawless, David W. Miller, Marvin Waldman
The AI-driven Drug Design (AIDD) platform: an interactive multi-parameter optimization system integrating molecular evolution with physiologically based pharmacokinetic simulations. J. Comput. Aided Mol. Des. 38 (1) (2024)
Robert Fraczkiewicz, Marvin Waldman
─A Rigorous Indicator of Individual Functional Group Acidity/Basicity in Multiprotic Compounds. J. Chem. Inf. Model. 63 (10) (2023)
Marvin Waldman, Robert Fraczkiewicz, Robert D. Clark
Tales from the war on error: the art and science of curating QSAR data. J. Comput. Aided Mol. Des. 29 (9) (2015)
Robert D. Clark, Wenkel Liang, Adam C. Lee, Michael S. Lawless, Robert Fraczkiewicz, Marvin Waldman
Using beta binomials to estimate classification uncertainty for ensemble models. J. Cheminformatics 6 (1) (2014)
Robert D. Clark, Marvin Waldman
Lions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular design. J. Comput. Aided Mol. Des. 26 (1) (2012)
Paul D. Kirchhoff, Rob Brown, Scott Kahn, Marvin Waldman, C. M. Venkatachalam
Application of structure-based focusing to the estrogen receptor. J. Comput. Chem. 22 (10) (2001)
Eric A. Jamois, Moises Hassan, Marvin Waldman
Evaluation of Reagent-Based and Product-Based Strategies in the Design of Combinatorial Library Subsets. J. Chem. Inf. Comput. Sci. 40 (1) (2000)
J. R. Maple, Ming-Jing Hwang, Thomas P. Stockfisch, Uri Dinur, Marvin Waldman, Carl S. Ewig, Arnold T. Hagler
Derication of Class II Force Fields. I. Methology and Quantum Force Field for the Alkyl Functional Group and Alkane Molecules. J. Comput. Chem. 15 (2) (1994)
Marvin Waldman, Arnold T. Hagler
New combining rules for rare gas van der waals parameters. J. Comput. Chem. 14 (9) (1993)