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Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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The Quest for Bioisosteric Replacements
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Computationally Efficient Algorithm to Identify Matched Molecular Pairs (MMPs) in Large Data Sets
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A General Method for Exploiting QSAR Models in Lead Optimization
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Kinase Patent Space Visualization Using Chemical Replacements
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Matched Molecular Pairs as a Guide in the Optimization of Pharmaceutical Properties; a Study of Aqueous Solubility, Plasma Protein Binding and Oral Exposure
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Lipophilicity in drug discovery
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Additional file 1 of Predicting liver cytosol stability of small molecules
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Additional file 2 of Predicting liver cytosol stability of small molecules
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Additional file 3 of Predicting liver cytosol stability of small molecules
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Additional file 1 of Chemical rules for optimization of chemical mutagenicity via matched molecular pairs analysis and machine learning methods
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Additional file 2 of Chemical rules for optimization of chemical mutagenicity via matched molecular pairs analysis and machine learning methods
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