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Systematic Analysis of Public Domain Compound Potency Data Identifies Selective Molecular Scaffolds across Druggable Target Families
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Computational analysis of ligand relationships within target families
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SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
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The Combinatorial Synthesis of Bicyclic Privileged Structures or Privileged Substructures
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Methods for drug discovery: development of potent, selective, orally effective cholecystokinin antagonists
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Are Target-Family-Privileged Substructures Truly Privileged?
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Design, Synthesis, and Biological Characterization of a Caspase 3/7 Selective Isatin Labeled with 2-[18F]fluoroethylazide
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DrugBank: a knowledgebase for drugs, drug actions and drug targets
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Cytoscape: A Software Environment for Integrated Models of Biomolecular Interaction Networks
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Diversity‐Oriented Synthesis of Natural Product–Like Libraries
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Elements for the Development of Strategies for Compound Library Enhancement
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Scaffold Diversity in Medicinal Chemistry Space
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Scaffold Mining of Publicly Available Compound Data
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Privilegierte Strukturen neu betrachtet
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Privileged Structures Revisited
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Structural and Potency Relationships between Scaffolds of Compounds Active against Human Targets
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Missing Value Estimation for Compound‐Target Activity Data
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Method for Systematic Assessment of Chemical Changes in Molecular Scaffolds with Conserved Topology and Application to the Analysis of Scaffold‐Activity Relationships
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Privileged scaffolds for library design and drug discovery
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The role of computational methods in the identification of bioactive compounds
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Biodiversity of small molecules – a new perspective in screening set selection
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Computational Exploration of Molecular Scaffolds in Medicinal Chemistry
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The Rise and Fall of a Scaffold: A Trend Analysis of Scaffolds in the Medicinal Chemistry Literature
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Network Variants for Analyzing Target-Ligand Interactions
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Molecular Scaffolds with High Propensity to Form Multi-Target Activity Cliffs
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Polypharmacology Directed Compound Data Mining: Identification of Promiscuous Chemotypes with Different Activity Profiles and Comparison to Approved Drugs
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Combining Horizontal and Vertical Substructure Relationships in Scaffold Hierarchies for Activity Prediction
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Scaffold Diversity of Exemplified Medicinal Chemistry Space
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Lessons Learned from Molecular Scaffold Analysis
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Target Family-Directed Exploration of Scaffolds with Different SAR Profiles
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Growth of Ligand–Target Interaction Data in ChEMBL Is Associated with Increasing and Activity Measurement-Dependent Compound Promiscuity
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Systematic Identification of Scaffolds Representing Compounds Active against Individual Targets and Single or Multiple Target Families
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Exploring Target-Selectivity Patterns of Molecular Scaffolds
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Global assessment of scaffold hopping potential for current pharmaceutical targets
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A conceptual framework for analysing and planning synthetic approaches to diverse lead-like scaffolds
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Isophthaloylbis (Azanediyl) Dipeptide Ligand and Its Complexes: Structural Study, Spectroscopic, Molecular Orbital, Molecular Docking, and Biological Activity Properties
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Privileged Structures - Dream or Reality: Preferential Organization of Azanaphthalene Scaffold
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