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Charles H. Reynolds
Researcher at Johnson & Johnson Pharmaceutical Research and Development
Publications - 77
Citations - 4001
Charles H. Reynolds is an academic researcher from Johnson & Johnson Pharmaceutical Research and Development. The author has contributed to research in topics: Ligand (biochemistry) & Ligand efficiency. The author has an hindex of 29, co-authored 76 publications receiving 3620 citations. Previous affiliations of Charles H. Reynolds include Johnson & Johnson & Pennsylvania State University.
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The role of ligand efficiency metrics in drug discovery
TL;DR: Optimize ligand efficiency metrics based on both molecular mass and lipophilicity, when set in the context of the specific target, has the potential to ameliorate the inflation of these properties that has been observed in current medicinal chemistry practice, and to increase the quality of drug candidates.
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Ligand binding efficiency: trends, physical basis, and implications.
TL;DR: Analysis of thousands of ligands across a variety of targets shows that ligand efficiency is dependent on ligand size with smaller ligands having greater efficiencies, on average, than larger ligands.
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An improved set of mndo parameters for sulfur
TL;DR: The MNDO parameters for sulfur have been reoptimized and Calculations for a number of sulfur compounds indicate a very significant improvement.
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Performance of similarity measures in 2D fragment-based similarity searching: comparison of structural descriptors and similarity coefficients.
Xin Chen,Charles H. Reynolds +1 more
TL;DR: The results clearly indicate that the Tanimoto coefficient is superior to the Euclidean distance in 2D-fragment based similarity searching, in terms of hit rate, while atom sequences demonstrate the best overall performance among the structural descriptors the authors studied.
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Ligand efficiency and fragment-based drug discovery.
TL;DR: Evaluating FBDD examples from the literature using LE and fit quality, it is found that, in general, the LEs of starting fragments are greater than those of larger, more elaborated, structures.