Marvin Waldman

According to our database, Marvin Waldman authored at least 9 papers between 1993 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of five.

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, David W. Miller, Marvin Waldman

J. Comput. Aided Mol. Des., December, 2024

2023

p<i>K</i>₅₀─A Rigorous Indicator of Individual Functional Group Acidity/Basicity in Multiprotic Compounds.

Robert Fraczkiewicz, Marvin Waldman

J. Chem. Inf. Model., May, 2023

2015

Tales from the war on error: the art and science of curating QSAR data.

Marvin Waldman, Robert Fraczkiewicz, Robert D. Clark

J. Comput. Aided Mol. Des., 2015

2014

Using beta binomials to estimate classification uncertainty for ensemble models.

Robert D. Clark, Wenkel Liang, Adam C. Lee, Michael S. Lawless, Robert Fraczkiewicz, Marvin Waldman

J. Cheminformatics, 2014

2012

Lions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular design.

Robert D. Clark, Marvin Waldman

J. Comput. Aided Mol. Des., 2012

2001

Application of structure-based focusing to the estrogen receptor.

Paul D. Kirchhoff, Rob Brown, Scott Kahn, Marvin Waldman, C. M. Venkatachalam

J. Comput. Chem., 2001

2000

Evaluation of Reagent-Based and Product-Based Strategies in the Design of Combinatorial Library Subsets.

Eric A. Jamois, Moises Hassan, Marvin Waldman

J. Chem. Inf. Comput. Sci., 2000

1994

Derication of Class II Force Fields. I. Methology and Quantum Force Field for the Alkyl Functional Group and Alkane Molecules.

J. R. Maple, Ming-Jing Hwang, Thomas P. Stockfisch, Uri Dinur, Marvin Waldman, Carl S. Ewig, Arnold T. Hagler

J. Comput. Chem., 1994

1993

New combining rules for rare gas van der waals parameters.

Marvin Waldman, Arnold T. Hagler

J. Comput. Chem., 1993