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Similarity Searching in Files of Three-Dimensional Chemical Structures. Alignment of Molecular Electrostatic Potential Fields with a Genetic Algorithm
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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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Quantitative comparison of molecular electrostatic potentials for structure‐activity studies
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Cumulative and discrete similarity analysis of electrostatic potentials and fields
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Conformational searching methods for small molecules. II. Genetic algorithm approach
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Molecular Similarity Calculations for the Rational Design of Bioactive Molecules
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A fast and efficient method for 2D and 3D molecular shape description
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Automatic search for maximum similarity between molecular electrostatic potential distributions
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Nonparametric statistics for the behavioral sciences
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Molecular electrostatic potential: a tool for the prediction of the pharmacophoric pattern of drug molecules
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The molecular electrostatic potential and drug design
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Similarity and clustering in chemical information systems
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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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3D Database searching on the basis of ligand shape using the sperm prototype method
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Compare Conformer: a program for the rapid comparison of molecular conformers based on interatomic distances and torsion angles
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Database searching on the basis of three-dimensional molecular similarity using the SPERM program
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Clustering of chemical structures on the basis of two-dimensional similarity measures
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Application of genetic algorithms in the field of constitutional similarity
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New method for rapid characterization of molecular shapes: applications in drug design
inferredcites →https://doi.org/10.1021/ci00017a024openalex-snapshot
Conformational searching in ISIS/3D databases
inferredcites →https://doi.org/10.1021/ci00017a025openalex-snapshot
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
inferredcites →https://doi.org/10.1021/ci00021a011openalex-snapshot
Similarity Searching and Clustering of Chemical-Structure Databases Using Molecular Property Data
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Atomic charges for variable molecular conformations
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Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
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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
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Three‐dimensional Structure Searching
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Combinatorial Library Design, Molecular Similarity, and Diversity Applications
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Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization
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Computational methods for scaffold hopping
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Calculation of Structural Similarity by the Alignment of Molecular Electrostatic Potentials
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Diversity in Very Large Libraries
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