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Scaffold Topologies. 1. Exhaustive Enumeration up to Eight Rings

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What this work says

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

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Encyclopedia of Computational Chemistry
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Virtual Exploration of the Small‐Molecule Chemical Universe below 160 Daltons
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Design of topological indices. Part 4. Reciprocal distance matrix, related local vertex invariants and topological indices
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The characteristic polynomial of a chemical graph
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Graph isomorphism problem
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Isomorphism of graphs of bounded valence can be tested in polynomial time
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Pursuing the leadlikeness concept in pharmaceutical research
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Eigenspaces of Graphs
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Exploring Chemical Rings in a Simple Topological-Descriptor Space
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Algorithm for Naming Molecular Equivalence Classes Represented by Labeled Pseudographs
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Using Molecular Equivalence Numbers To Visually Explore Structural Features that Distinguish Chemical Libraries
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Scaffold Topologies. 2. Analysis of Chemical Databases
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The Properties of Known Drugs. 1. Molecular Frameworks
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Charting biologically relevant chemical space: A structural classification of natural products (SCONP)
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GRAPH THEORY

What points at this work

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

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ChemInform Abstract: Scaffold Topologies. Part 1. Exhaustive Enumeration up to Eight Rings.
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Chemoinformatics as a Theoretical Chemistry Discipline
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KID: A Kinase-Focused Interaction Database and Its Application in the Construction of Kinase-Focused Molecule Databases
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Mapping of Drug-like Chemical Universe with Reduced Complexity Molecular Frameworks
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Virtual Exploration of the Ring Systems Chemical Universe
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Compound Set Enrichment: A Novel Approach to Analysis of Primary HTS Data
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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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Novel Scaffold Fingerprint (SFP): Applications in Scaffold Hopping and Scaffold-Based Selection of Diverse Compounds
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Exploring Chemical Space for Drug Discovery Using the Chemical Universe Database
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Stochastic Voyages into Uncharted Chemical Space Produce a Representative Library of All Possible Drug-Like Compounds
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970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13
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Novel Chemical Space Exploration via Natural Products
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Exploring the combinatorial explosion of amine–acid reaction space via graph editing
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Testing the predictive power of reverse screening to infer drug targets, with the help of machine learning
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Protein homology reveals new targets for bioactive small molecules
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Scaffold analysis of PubChem database as background for hierarchical scaffold-based visualization
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Ligand- and Structure-Based Drug Design and Optimization using KNIME
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Report on an NIH Workshop on Ultralarge Chemistry Databases
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Evaluating Antimycobacterial Screening Schemes Using Chemical Global Positioning System-Natural Product Analysis
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