Charles H. Reynolds

Publication Activity (10 Years)

Years Active: 1994-2018
Publications (10 Years): 2

Top Topics

Virtual Screening

Computational Efficiency

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Dimitris K. Agrafiotis, M. Katharine Holloway, Scott A. Johnson, Charles H. Reynolds, Terry R. Stouch, Alexander Tropsha, Chris L. Waller
Chemistry, information and Frank: a tribute to Frank Brown. J. Comput. Aided Mol. Des. 32 (7) (2018)
Charles H. Reynolds, Ryan C. Reynolds
Group Additivity in Ligand Binding Affinity: An Alternative Approach to Ligand Efficiency. J. Chem. Inf. Model. 57 (12) (2017)
Xiaohua Zhang, Alan C. Gibbs, Charles H. Reynolds, Martin B. Peters, Lance M. Westerhoff
Quantum Mechanical Pairwise Decomposition Analysis of Protein Kinase B Inhibitors: Validating a New Tool for Guiding Drug Design. J. Chem. Inf. Model. 50 (4) (2010)
Brett A. Tounge, Charles H. Reynolds
Defining Privileged Reagents Using Subsimilarity Comparison. J. Chem. Inf. Model. 44 (5) (2004)
Brett A. Tounge, Lori B. Pfahler, Charles H. Reynolds
Chemical Information Based Scaling of Molecular Descriptors: A Universal Chemical Scale for Library Design and Analysis. J. Chem. Inf. Comput. Sci. 42 (4) (2002)
Xin Chen, Charles H. Reynolds
Performance of Similarity Measures in 2D Fragment-Based Similarity Searching: Comparison of Structural Descriptors and Similarity Coefficients. J. Chem. Inf. Comput. Sci. 42 (6) (2002)
Charles H. Reynolds, Alexander Tropsha, Lori B. Pfahler, Ross Druker, Subhas Chakravorty, G. Ethiraj, Weifan Zheng
Diversity and Coverage of Structural Sublibraries Selected Using the SAGE and SCA Algorithms. J. Chem. Inf. Comput. Sci. 41 (6) (2001)
Charles H. Reynolds, Ross Druker, Lori B. Pfahler
Lead Discovery Using Stochastic Cluster Analysis (SCA): A New Method for Clustering Structurally Similar Compounds. J. Chem. Inf. Comput. Sci. 38 (2) (1998)
Charles H. Reynolds
Estimating Lipophilicity Using the GB/SA Continuum Solvation Model: A Direct Method for Computing Partition Coefficients. J. Chem. Inf. Comput. Sci. 35 (4) (1995)
Charles H. Reynolds
Combined Molecular Orbital and Group Additivity Approach for Modeling Thermochemical Properties: Application to Hydrazides. J. Chem. Inf. Comput. Sci. 34 (3) (1994)