Combined Molecular Orbital and Group Additivity Approach for Modeling Thermochemical Properties: Application to Hydrazides. - Charles H. Reynolds (J. Chem. Inf. Comput. Sci., 1994)

Estimating Lipophilicity Using the GB/SA Continuum Solvation Model: A Direct Method for Computing Partition Coefficients. - Charles H. Reynolds (J. Chem. Inf. Comput. Sci., 1995)

Lead Discovery Using Stochastic Cluster Analysis (SCA): A New Method for Clustering Structurally Similar Compounds. - Charles H. Reynolds; Ross Druker; Lori B. Pfahler (J. Chem. Inf. Comput. Sci., 1998)

Diversity and Coverage of Structural Sublibraries Selected Using the SAGE and SCA Algorithms. - Charles H. Reynolds; Alexander Tropsha; Lori B. Pfahler; Ross Druker; Subhas Chakravorty; G. Ethiraj; Weifan Zheng (J. Chem. Inf. Comput. Sci., 2001)

Performance of Similarity Measures in 2D Fragment-Based Similarity Searching: Comparison of Structural Descriptors and Similarity Coefficients. - Xin Chen; Charles H. Reynolds (J. Chem. Inf. Comput. Sci., 2002)

Chemical Information Based Scaling of Molecular Descriptors: A Universal Chemical Scale for Library Design and Analysis. - Brett A. Tounge; Lori B. Pfahler; Charles H. Reynolds (J. Chem. Inf. Comput. Sci., 2002)

Defining Privileged Reagents Using Subsimilarity Comparison. - Brett A. Tounge; Charles H. Reynolds (J. Chem. Inf. Model., 2004)

Quantum Mechanical Pairwise Decomposition Analysis of Protein Kinase B Inhibitors: Validating a New Tool for Guiding Drug Design. - Xiaohua Zhang; Alan C. Gibbs; Charles H. Reynolds; Martin B. Peters; Lance M. Westerhoff (J. Chem. Inf. Model., 2010)

Group Additivity in Ligand Binding Affinity: An Alternative Approach to Ligand Efficiency. - Charles H. Reynolds; Ryan C. Reynolds (J. Chem. Inf. Model., 2017)

Chemistry, information and Frank: a tribute to Frank Brown. - Dimitris K. Agrafiotis; M. Katharine Holloway; Scott A. Johnson; Charles H. Reynolds; Terry R. Stouch; Alexander Tropsha; Chris L. Waller (J. Comput. Aided Mol. Des., 2018)