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Irredundant Generation of Isomeric Molecular Structures with Some Known Fragments
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Application of the computer program GENOA and two‐dimensional NMR spectroscopy to structure elucidation
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Experimental determination of partial specific volumes of humic substances in aqueous solutions
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MOLGEN+, a generator of connectivity isomers and stereoisomers for molecular structure elucidation
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An improved version of the constructive enumeration of molecular graphs with prescribed sequence of valence states
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Computer assisted structure elucidation
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The dendral project: recent advances in computer- assisted structure elucidation
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Case, a computer model of the structure elucidation process
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Structure Generation by the Combination of Structure Reduction and Structure Assembly
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The development of an Environmental Fate Data Base
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Unique numbering and cataloging of molecular structures
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A reasonable triamantane rearrangement path searched by the selective disource propagation algorithm
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Automated classification of candidate structures for computer-assisted structure elucidation
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Further development of structure generation in the automated structure elucidation system CHEMICS
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Structure generation by reduction: a new strategy for computer-assisted structure elucidation
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Introduction of two-dimensional NMR spectral information to an automated structure elucidation system, CHEMICS. Utilization of 2D-INADEQUATE information
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An expert-database system for sample preparation by microwave dissolution. 1. Selection of analytical descriptors
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Canonical indexing and constructive enumeration of molecular graphs
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Enhanced algorithm for finding the smallest set of smallest rings
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Computer-assisted structure generation from a gross formula. 3. Alleviation of the combinatorial problem
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On Canonical Numbering of Atoms in a Molecule and Graph Isomorphism
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Chemistry on the Internetthe Road to Everywhere and Nowhere
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Recent Advances in the Automated Structure Elucidation System, CHEMICS. Utilization of Two-Dimensional NMR Spectral Information and Development of Peripheral Functions for Examination of Candidates
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Principles of the Generation of Constitutional and Configurational Isomers
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Computer Generation of Molecular Structures by the SMOG Program
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Three-Dimensional Graphical Visualization of One-Electron Atomic Orbitals
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The determination of the rate-limiting step in a proton transfer reaction from the breakdown of the Swain-Schaad relation
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Applications of artificial intelligence for chemical inference. XIII. Labeling of objects having symmetry
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Applications of artificial intelligence for chemical inference. XVII. Approach to computer-assisted elucidation of molecular structure
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Applications of artificial intelligence for chemical inference. I. Number of possible organic compounds. Acyclic structures containing carbon, hydrogen, oxygen, and nitrogen
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Applications of artificial intelligence for chemical inference. 37. GENOA: a computer program for structure elucidation utilizing overlapping and alternative substructures
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On the recognition of identical graphs representing molecular topology
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/chin.199816272openalex-snapshot
ChemInform Abstract: Irredundant Generation of Isomeric Molecular Structures with Some Known Fragments.
inferred← citeshttps://doi.org/10.1007/s10631-005-0039-9openalex-snapshot
Generation of Molecular Graphs for QSAR Studies
inferred← citeshttps://doi.org/10.1021/ci000139topenalex-snapshot
Prediction of Surface Tension, Viscosity, and Thermal Conductivity for Common Organic Solvents Using Quantitative Structure−Property Relationships
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QSAR for Boiling Points of “Small” Sulfides. Are the “High-Quality Structure-Property-Activity Regressions” the Real High Quality QSAR Models?
inferred← citeshttps://doi.org/10.1021/ci0003395openalex-snapshot
Exhaustive Generation of Organic Isomers. 6. Stereoisomers Having Isolated and Spiro Cycles and New Extended N_Tuples
inferred← citeshttps://doi.org/10.1021/ci030290dopenalex-snapshot
Prediction of the Formulation Dependence of the Glass Transition Temperatures of Amine-Epoxy Copolymers Using a QSPR Based on the AM1 Method
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MOLGEN-CID A Canonizer for Molecules and Graphs Accessible through the Internet
inferred← citeshttps://doi.org/10.1021/ci0342831openalex-snapshot
Representation of the Molecular Topology of Cyclical Structures by Means of Cycle Graphs. 2. Application to Clustering of Chemical Databases
inferred← citeshttps://doi.org/10.1021/ci6002762openalex-snapshot
Algorithm for Exhaustive and Nonredundant Organic Stereoisomer Generation
inferred← citeshttps://doi.org/10.1021/ci9700586openalex-snapshot
Exhaustive Generation of Organic Isomers. 5. Unsaturated Optical and Geometrical Stereoisomers and a New CIP Subrule
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Chemical space as a source for new drugs
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Constrained generation of molecular graphs
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Software platform virtualization in chemistry research and university teaching
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