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Computer Perception of Topological Symmetry

https://doi.org/10.1021/ci60010a013
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Canonical Numbering and Constitutional Symmetry
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Canonical Numbering and Constitutional Symmetry
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Bibliography
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Stereochemical substructure codes for 13C spectral analysis
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Symbolic computation and chemistry
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On topological charge stabilization in heterocyclic compounds
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Information content of molecular graph and prediction of gas phase thermal entropy of organic compounds
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Efficacy of topological informational potentials for analysis of nonequivalent atoms in molecular graphs: the case of chiral fullerenes
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Algorithm for computer perception of topological symmetry
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Graph theoretical perception of molecular symmetry
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A topological method for determining the external symmetry number of molecules
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Graph codes and a definition of structural similarity
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Logic-based approach to expert systems in chemistry
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Embracing chemical and structural diversity with UCONGA: A universal conformer generation and analysis program
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An approach to automated partial structure expansion
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A unique computer representation for molecular structures
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Computer-aided structure elucidation of organic compounds with the chemics system
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The study on automorphism group of ESESOC
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Stereochemistry and sequence rules a proposal for modification of Cahn-Ingold-Prelog system
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Determination of topological similarity of carbon atoms in the simulation of carbon-13 nuclear magnetic resonance spectra
inferred← citeshttps://doi.org/10.1021/ac50033a034openalex-snapshot
Signal number prediction in carbon-13 nuclear magnetic resonance spectrometry
inferred← citeshttps://doi.org/10.1021/ci00012a003openalex-snapshot
Graph automorphism perception algorithms in computer-enhanced structure elucidation
inferred← citeshttps://doi.org/10.1021/ci00019a022openalex-snapshot
Computational Techniques for the Automorphism Groups of Graphs
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Computer Generation of Automorphism Groups of Weighted Graphs
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Encoding of Polycyclic Si-Containing Molecules for Determining Species Uniqueness in Automated Mechanism Generation
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TRAVIS - A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories
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Detection of Constitutionally Equivalent Sites from a Connection Table
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Isomorphism, Automorphism Partitioning, and Canonical Labeling Can Be Solved in Polynomial-Time for Molecular Graphs
inferred← citeshttps://doi.org/10.1021/cr9903656openalex-snapshot
Aromaticity of Polycyclic Conjugated Hydrocarbons
inferred← citeshttps://doi.org/10.1039/a602071bopenalex-snapshot
Hidden symmetry in molecular graphs
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TRAVIS—A free analyzer for trajectories from molecular simulation
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Automorphism Groups in Polyhedral Graphs
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