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3D Matched Pairs: Integrating Ligand- and Structure-Based Knowledge for Ligand Design and Receptor Annotation

https://doi.org/10.1021/ci400201k
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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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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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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Trends in Kinase Selectivity: Insights for Target Class-Focused Library Screening
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Matched Molecular Pairs as a Medicinal Chemistry Tool
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Matched Molecular Pair Analysis of Small Molecule Microarray Data Identifies Promiscuity Cliffs and Reveals Molecular Origins of Extreme Compound Promiscuity
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VAMMPIRE: A Matched Molecular Pairs Database for Structure-Based Drug Design and Optimization
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Molecular Shape and Medicinal Chemistry: A Perspective
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Targeted Kinase Selectivity from Kinase Profiling Data
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SAR mining and its application to the design of TRPA1 antagonists
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Roles of water in protein structure and function studied by molecular liquid theory

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Exploring Structure–Activity Relationships with Three‐Dimensional Matched Molecular Pairs—A Review
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In Silico ADME Techniques Used in Early-Phase Drug Discovery
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12347-9openalex-snapshot
Matched Molecular Pair Analysis
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00290openalex-snapshot
Performance of Relative Binding Free Energy Calculations on an Automatically Generated Dataset of Halogen–Deshalogen Matched Molecular Pairs
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00476openalex-snapshot
Matched Peptides: Tuning Matched Molecular Pair Analysis for Biopharmaceutical Applications
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00627openalex-snapshot
Identification and Visualization of Kinase-Specific Subpockets
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00092openalex-snapshot
Bioisostere Identification by Determining the Amino Acid Binding Preferences of Common Chemical Fragments
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Turbocharging Matched Molecular Pair Analysis: Optimizing the Identification and Analysis of Pairs
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Matched Molecular Pair Analysis in Drug Discovery: Methods and Recent Applications
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Benzazaborinines as Novel Bioisosteric Replacements of Naphthalene: Propranolol as an Example
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Quantitative Structure–Activity Relationship Models of Chemical Transformations from Matched Pairs Analyses
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OOMMPPAA: A Tool To Aid Directed Synthesis by the Combined Analysis of Activity and Structural Data
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VAMMPIRE-LORD: A Web Server for Straightforward Lead Optimization Using Matched Molecular Pairs
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Using Matched Molecular Series as a Predictive Tool To Optimize Biological Activity
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