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A New Graph Descriptor for Molecules Containing Cycles. Application as Screening Criterion for Searching Molecular Structures within Large Databases of Organic Compounds
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/0470845015openalex-snapshot
Encyclopedia of Computational Chemistry
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Substructure searching on very large files by using multiple storage techniques
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The Beilstein Information System is not a reaction database, or is it?
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Computer storage and retrieval of generic chemical structures in patents. 8. Reduced chemical graphs and their applications in generic chemical structure retrieval
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ARTS: a flexible laboratory instrument control language
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Logical perception of ring-opening, ring-closure, and rearrangement reactions based on imaginary transition structures. Selection of the essential set of essential rings (ESER)
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Automated classification of candidate structures for computer-assisted structure elucidation
inferredcites →https://doi.org/10.1021/ci00063a008openalex-snapshot
Theoretical aspects of ring perception and development of the extended set of smallest rings concept
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Enhanced algorithm for finding the smallest set of smallest rings
inferredcites →https://doi.org/10.1021/ci00066a003openalex-snapshot
Topological structural information in the CAS file: statistical occurrences of DARC concentric fragments. 1. Basic carbon substructures
inferredcites →https://doi.org/10.1021/ci00068a007openalex-snapshot
Status and future developments of reaction databases and online retrieval systems
inferredcites →https://doi.org/10.1021/ci00068a008openalex-snapshot
CASREACT: more than a million reactions
inferredcites →https://doi.org/10.1021/ci00068a009openalex-snapshot
ChemInform - an integrated information system on chemical reactions
inferredcites →https://doi.org/10.1021/ci950250copenalex-snapshot
Caught in a CrossFire: Academic Libraries and Beilstein
inferredcites →https://doi.org/10.1126/science.166.3902.178openalex-snapshot
Computer-Assisted Design of Complex Organic Syntheses
inferredcites →https://doi.org/10.1126/science.166.3902.192openalex-snapshot
The Siege of the House of Reason
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Understanding the Structure and Dynamics of Peptides and Proteins Through the Lens of Network Science
inferred← citeshttps://doi.org/10.1002/9783527816880.ch3openalex-snapshot
Computer Processing of Chemical Structure Information
inferred← citeshttps://doi.org/10.1002/chin.200206278openalex-snapshot
ChemInform Abstract: A New Graph Descriptor for Molecules Containing Cycles. Application as Screening Criterion for Searching Molecular Structures within Large Databases of Organic Compounds.
inferred← citeshttps://doi.org/10.1007/3-540-45372-5_41openalex-snapshot
Determination of Screening Descriptors for Chemical Reaction Databases
inferred← citeshttps://doi.org/10.1007/978-3-540-25967-1_8openalex-snapshot
Retrieval by Structure from Chemical Data Bases
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The compressed feature matrix?a fast method for feature based substructure search
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Cyclical Conjunction: An Efficient Operator for the Extraction of Cycles from a Graph
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Classification of Some Active HIV-1 Protease Inhibitors and Their Inactive Analogues Using Some Uncorrelated Three-Dimensional Molecular Descriptors and a Fuzzy c-Means Algorithm
inferred← citeshttps://doi.org/10.1021/ci030405dopenalex-snapshot
Counterexamples in Chemical Ring Perception
inferred← citeshttps://doi.org/10.1021/ci034256aopenalex-snapshot
Representation of the Molecular Topology of Cyclical Structures by Means of Cycle Graphs. 1. Extraction of Topological Properties
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/ci200629wopenalex-snapshot
Unique Ring Families: A Chemically Meaningful Description of Molecular Ring Topologies
inferred← citeshttps://doi.org/10.1021/jp022641hopenalex-snapshot
Structural Identification of Local Maxima in Low-Resolution Promolecular Electron Density Distributions
inferred← citeshttps://doi.org/10.1038/nrd745openalex-snapshot
Chemical database techniques in drug discovery
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Staying hydrated: the molecular journey of gaseous sulfur dioxide to a water surface
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Structural insights into square-heptagonal kinks: a study of degree-based descriptors
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An Introduction to the Basic Concepts in QSAR-Aided Drug Design
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An Introduction to the Basic Concepts in QSAR-Aided Drug Design
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