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Identification of Groupings of Graph Theoretical Molecular Descriptors Using a Hybrid Cluster Analysis Approach

https://doi.org/10.1021/ci990149y
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Factor analysis in chemistry
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Chemical Similarity Using Geometric Atom Pair Descriptors
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The Information Content of 2D and 3D Structural Descriptors Relevant to Ligand-Receptor Binding
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Similarity Measures for Rational Set Selection and Analysis of Combinatorial Libraries: The Diverse Property-Derived (DPD) Approach
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Chemical Similarity Searching
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Evaluation and Use of BCUT Descriptors in QSAR and QSPR Studies
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Molecular Diversity and Representativity in Chemical Databases
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Quasi-orthogonal Basis Sets of Molecular Graph Descriptors as a Chemical Diversity Measure
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Topological Indices: Their Nature and Mutual Relatedness
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Molecular Similarity Based on DOCK-Generated Fingerprints
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Neighborhood Behavior: A Useful Concept for Validation of “Molecular Diversity” Descriptors
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Selecting Optimally Diverse Compounds from Structure Databases: A Validation Study of Two-Dimensional and Three-Dimensional Molecular Descriptors
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Random or Rational Design? Evaluation of Diverse Compound Subsets from Chemical Structure Databases
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The Mathematical Theory of Communication
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Hierarchical Grouping to Optimize an Objective Function
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Molecular Graph Matrices and Derived Structural Descriptors
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Some Thoughts on Bacterial Classification
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The Application of Computers to Taxonomy
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Clustering Using a Similarity Measure Based on Shared Near Neighbors
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Application of an Hierarchical Grouping Procedure to a Problem of Grouping Profiles
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Topological Indices and Related Descriptors in QSAR and QSPR
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Vertex- and Edge-Weighted Molecular Graphs and Derived Structural Descriptors
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Matrices and Structural Descriptors Computed from Molecular Graph Distances
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The Graph Description of Chemical Structures
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Factor Analysis in Chemistry
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Pattern Classification and Scene Analysis
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A Statistical Method for Evaluating Systematic Relationships

What points at this work

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

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