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Similarity Searching in Files of Three-Dimensional Chemical Structures: Flexible Field-Based Searching of Molecular Electrostatic Potentials

https://doi.org/10.1021/ci960002w
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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 application of molecular similarity calculations
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Pharmacophoric pattern matching in files of three-dimensional chemical structures: use of bounded distance matrices for the representation and searching of conformationally flexible molecules
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Implementation and use of an atom-mapping procedure for similarity searching in databases of 3-D chemical structures
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The development of versions 3 and 4 of the Cambridge Structural Database System
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Database searching on the basis of three-dimensional molecular similarity using the SPERM program
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Similarity searching on CAS Registry substances. 1. Global molecular property and generic atom triangle geometric searching
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Comparison of conformations of small molecule structures from the Protein Data Bank with those generated by Concord, Cobra, ChemDBS-3D, and Converter and those extracted from the Cambridge Structural Database
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Conformational searching in ISIS/3D databases
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Flexible 3D searching: The directed tweak technique
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Pharmacophoric pattern matching in files of three-dimensional chemical structures: Comparison of conformational-searching algorithms for flexible searching
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An Algorithm To Directly Identify a Molecule's "Most Different" Conformations
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Chemical Function Queries for 3D Database Search
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Algorithms for the identification of three-dimensional maximal common substructures
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Expert system for machine-aided indexing
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3DSEARCH: a system for three-dimensional substructure searching
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Conformational freedom in 3-D databases. 1. Techniques
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Automated conformational analysis and structure generation: algorithms for molecular perception
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From atoms and bonds to three-dimensional atomic coordinates: automatic model builders
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Similarity Searching in Files of Three-Dimensional Structures: Evaluation of Similarity Coefficients and Standardisation Methods for Field-Based Similarity Searching
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Genetic Algorithms: Principles of Natural Selection Applied to Computation
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Genetic and evolutionary algorithms come of age
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Genetic algorithms in search, optimization, and machine learning

What points at this work

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

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Genetic and Evolutionary Algorithms
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Structural Similarity Measures for Database Searching
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Three‐dimensional Structure Searching
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Combinatorial Library Design, Molecular Similarity, and Diversity Applications
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Descriptor‐Based Similarity Measures for Screening Chemical Databases
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Small‐molecule Geometry Optimization and Conformational Search
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Chemical Structure Handling
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