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Techniques for the calculation of three-dimensional structural similarity using inter-atomic distances
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Searching Databases of Three‐Dimensional Structures
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Structure–Activity Studies of Barbiturates Using Pattern Recognition Techniques
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Indexes of molecular shape from chemical graphs
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A Comparison of Some Measures for the Determination of Inter‐Molecular Structural Similarity Measures of Inter‐Molecular Structural Similarity
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Comparison of Fragment Weighting Schemes for Substructural Analysis
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Backtrack search algorithms and the maximal common subgraph problem
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A review and examination of the mathematical spaces underlying molecular similarity analysis
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Upperbound procedures for the identification of similar three-dimensional chemical structures
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ALADDIN: An integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures
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WIZARD: AI in conformational analysis
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A method for the automatic classification of chemical structures
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Computer-assisted structure-activity relationships of nitrogenous cyclic compounds tested in Salmonella assays for mutagenicity
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Similarity and clustering in chemical information systems
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Pharmacophoric pattern matching in files of 3-D chemical structures: selection of interatomic distance screens
inferredcites →https://doi.org/10.1016/0263-7855(87)80044-9openalex-snapshot
Pharmacophoric pattern matching in files of 3D chemical structures: evaluation of search performance
inferredcites →https://doi.org/10.1016/s0022-5193(85)80265-4openalex-snapshot
The search for functional correspondences in molecular structure between two dissimilar molecules
inferredcites →https://doi.org/10.1021/ci00046a002openalex-snapshot
Atom pairs as molecular features in structure-activity studies: definition and applications
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Computer-assisted studies of molecular structure biological activity relationships
inferredcites →https://doi.org/10.1021/ci00049a008openalex-snapshot
Implementation of nearest-neighbor searching in an online chemical structure search system
inferredcites →https://doi.org/10.1021/ci00056a002openalex-snapshot
Algorithms for the identification of three-dimensional maximal common substructures
inferredcites →https://doi.org/10.1021/ci00064a004openalex-snapshot
Using CONCORD to construct a large database of three-dimensional coordinates from connection tables
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3DSEARCH: a system for three-dimensional substructure searching
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Vertex indexes of molecular graphs in structure-activity relationships: a study of the convulsant-anticonvulsant activity of barbiturates and the carcinogenicity of unsubstituted polycyclic aromatic hydrocarbons
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Conformational freedom in 3-D databases. 1. Techniques
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Computer-assisted structure-activity studies of chemical carcinogens. Aromatic amines
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Computer-aided studies of the structure-activity relationships between the structure of some steroids and their antiinflammatory activity
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Computer-assisted structure-activity studies of chemical carcinogens. A heterogeneous data set
inferredcites →https://doi.org/10.1021/jm00349a002openalex-snapshot
Computer-assisted studies of structure-activity relationships of N-nitroso compounds using pattern recognition
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Structure-antitumor activity relationships of 9-anilinoacridines using pattern recognition
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Nonparametric Statistics
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A model based on molecular structure descriptors for predicting mutagenicity of organic compounds
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 Database Searches
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A review of three‐dimensional chemical structure retrieval systems
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Recent Advances in QSAR Studies
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Matching of Chemical and Biological Structures Using Subgraph and Maximal Common Subgraph Isomorphism Algorithms
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Similarity Searching in Databases of Three-Dimensional Chemical Structures
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Molecular similarity and diversity in chemoinformatics: From theory to applications
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Molecular similarity
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Chapter 29. 3D Database Searching and Docking Strategles
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A molecular structure matching problem
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Effectiveness of retrieval in similarity searches of chemical databases: a review of performance measures
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Subcellular pharmacokinetics and its potential for library focusing
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Classification of Some Active Compounds and Their Inactive Analogues Using Two Three-Dimensional Molecular Descriptors Derived from Computation of Three-Dimensional Convex Hulls for Structures Theoretically Generated for Them
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Three-Dimensional Pattern Recognition from Molecular Distance Minimization
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Four Association Coefficients for Relating Molecular Similarity Measures
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Similarity Searching in Files of Three-Dimensional Chemical Structures: Evaluation of the EVA Descriptor and Combination of Rankings Using Data Fusion
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Superposition of Three-Dimensional Chemical Structures Allowing for Conformational Flexibility by a Hybrid Method
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