Charles H. Reynolds - researchr alias

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Viewing Publication 1 - 10 from 10

2018

Chemistry, information and Frank: a tribute to Frank BrownDimitris K. Agrafiotis, M. Katharine Holloway, Scott A. Johnson, Charles H. Reynolds, Terry R. Stouch, Alexander Tropsha, Chris L. Waller. jcamd, 32(7):723-729, 2018. [doi]

2017

Group Additivity in Ligand Binding Affinity: An Alternative Approach to Ligand EfficiencyCharles H. Reynolds, Ryan C. Reynolds. jcisd, 57(12):3086-3093, December 2017. [doi]

2010

Quantum Mechanical Pairwise Decomposition Analysis of Protein Kinase B Inhibitors: Validating a New Tool for Guiding Drug DesignXiaohua Zhang, Alan C. Gibbs, Charles H. Reynolds, Martin B. Peters, Lance M. Westerhoff. jcisd, 50(4):651-661, 2010. [doi]

2004

Defining Privileged Reagents Using Subsimilarity ComparisonBrett A. Tounge, Charles H. Reynolds. jcisd, 44(5):1810-1815, 2004. [doi]

2002

Performance of Similarity Measures in 2D Fragment-Based Similarity Searching: Comparison of Structural Descriptors and Similarity CoefficientsXin Chen, Charles H. Reynolds. jcisd, 42(6):1407-1414, 2002. [doi]

Chemical Information Based Scaling of Molecular Descriptors: A Universal Chemical Scale for Library Design and AnalysisBrett A. Tounge, Lori B. Pfahler, Charles H. Reynolds. jcisd, 42(4):879-884, 2002. [doi]

2001

Diversity and Coverage of Structural Sublibraries Selected Using the SAGE and SCA AlgorithmsCharles H. Reynolds, Alexander Tropsha, Lori B. Pfahler, Ross Druker, Subhas Chakravorty, G. Ethiraj, Weifan Zheng. jcisd, 41(6):1470-1477, 2001. [doi]

1998

Lead Discovery Using Stochastic Cluster Analysis (SCA): A New Method for Clustering Structurally Similar CompoundsCharles H. Reynolds, Ross Druker, Lori B. Pfahler. jcisd, 38(2):305-312, 1998. [doi]

1995

Estimating Lipophilicity Using the GB/SA Continuum Solvation Model: A Direct Method for Computing Partition CoefficientsCharles H. Reynolds. jcisd, 35(4):738-742, 1995.

1994

Combined Molecular Orbital and Group Additivity Approach for Modeling Thermochemical Properties: Application to HydrazidesCharles H. Reynolds. jcisd, 34(3):671-675, 1994. [doi]

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