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Counterexamples in Chemical Ring Perception

https://doi.org/10.1021/ci030405d
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/9781118033104openalex-snapshot
Graphs: Theory and Algorithms
inferredcites →https://doi.org/10.1002/ange.19870990210openalex-snapshot
Heptacyclo[19.3.0.01,5.05,9.09,13.013,17.017,21]tetracosan ([6.5]Coronan)
inferredcites →https://doi.org/10.1002/ange.19870990211openalex-snapshot
Asymmetrische Synthese cyclischer α-Aminosäuren nach der Bislactimether-Methode
inferredcites →https://doi.org/10.1002/ange.19881000922openalex-snapshot
Centrohexaindan, der erste Kohlenwasserstoff mit topologisch nicht‐planarer Molekülstruktur
inferredcites →https://doi.org/10.1002/ange.19881000923openalex-snapshot
Synthese, Struktur und Reaktivität von [Mn2(μ‐H)2(CO)6(μ‐Ph2PCH2PPh2)]
inferredcites →https://doi.org/10.1002/anie.199526571openalex-snapshot
Synthesis and Structure of the Nanodimensional Multicyclophane “Kuratowski Cyclophane”, an Achiral Molecule with Nonplanar K3,3 Topology
inferredcites →https://doi.org/10.1002/anie.199526601openalex-snapshot
Homeomorphic Isomerism in a Peptidic Macrobicycle
inferredcites →https://doi.org/10.1002/jgt.3190130115openalex-snapshot
Is every cycle basis fundamental?
inferredcites →https://doi.org/10.1002/net.3230060206openalex-snapshot
An algorithm for the longest cycle problem
inferredcites →https://doi.org/10.1007/3-540-48777-8_27openalex-snapshot
Optimizing over All Combinatorial Embeddings of a Planar Graph (Extended Abstract)
inferredcites →https://doi.org/10.1007/3-540-69691-1_1openalex-snapshot
Design of Novel Aromatics using the Loschmidt Replacement on Graphs
inferredcites →https://doi.org/10.1007/978-1-4612-0333-9openalex-snapshot
The Graph Isomorphism Problem
inferredcites →https://doi.org/10.1007/978-1-4612-2972-8_4openalex-snapshot
Congruent Graphs and the Connectivity of Graphs
inferredcites →https://doi.org/10.1007/978-1-4612-2972-8_8openalex-snapshot
2-Isomorphic Graphs
inferredcites →https://doi.org/10.1007/978-3-642-78027-1_19openalex-snapshot
Rings — The Importance of Being Perceived
inferredcites →https://doi.org/10.1007/s00453-004-1098-xopenalex-snapshot
Minimum Cycle Bases for Network Graphs
inferredcites →https://doi.org/10.1007/s0089490050141openalex-snapshot
Encyclopedia of Computational Chemistry
inferredcites →https://doi.org/10.1016/0012-365x(79)90060-8openalex-snapshot
Characterizations of outerplanar graphs
inferredcites →https://doi.org/10.1016/0012-365x(87)90244-5openalex-snapshot
On the null-homotopy of graphs
inferredcites →https://doi.org/10.1016/0012-365x(91)90317-uopenalex-snapshot
Cycle bases from orderings and coverings
inferredcites →https://doi.org/10.1016/0022-0000(85)90004-2openalex-snapshot
A linear algorithm for embedding planar graphs using PQ-trees
inferredcites →https://doi.org/10.1016/s0304-0208(08)x7180-4openalex-snapshot
Planar Graphs: Theory and Algorithms
inferredcites →https://doi.org/10.1016/s0304-3975(98)00120-0openalex-snapshot
A new planarity test
inferredcites →https://doi.org/10.1016/s1571-0653(04)00087-3openalex-snapshot
On robust cycle bases
inferredcites →https://doi.org/10.1021/c160040a013openalex-snapshot
Mathematical Basis of Ring-Finding Algorithms in CIDS
inferredcites →https://doi.org/10.1021/ci00017a021openalex-snapshot
Automatic extraction of ring substructures from a chemical structure
inferredcites →https://doi.org/10.1021/ci00020a016openalex-snapshot
Efficient exact solution of the ring perception problem
inferredcites →https://doi.org/10.1021/ci000401yopenalex-snapshot
A New Graph Descriptor for Molecules Containing Cycles. Application as Screening Criterion for Searching Molecular Structures within Large Databases of Organic Compounds
inferredcites →https://doi.org/10.1021/ci00044a004openalex-snapshot
A priori estimates of the elution profiles of the pure components in overlapped liquid chromatography peaks using target factor analysis
inferredcites →https://doi.org/10.1021/ci00057a001openalex-snapshot
Logical perception of ring-opening, ring-closure, and rearrangement reactions based on imaginary transition structures. Selection of the essential set of essential rings (ESER)
inferredcites →https://doi.org/10.1021/ci00057a002openalex-snapshot
Automated classification of candidate structures for computer-assisted structure elucidation
inferredcites →https://doi.org/10.1021/ci00058a007openalex-snapshot
A new algorithm for selection of synthetically important rings. The essential set of essential rings for organic structures
inferredcites →https://doi.org/10.1021/ci00058a008openalex-snapshot
Knowledge representation using an augmented planning network: application to an expert system for planning HPLC separations
inferredcites →https://doi.org/10.1021/ci00063a007openalex-snapshot
Review of ring perception algorithms for chemical graphs
inferredcites →https://doi.org/10.1021/ci00063a008openalex-snapshot
Theoretical aspects of ring perception and development of the extended set of smallest rings concept
inferredcites →https://doi.org/10.1021/ci00063a009openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 9. An algorithm to find the extended set of smallest rings in structurally explicit generics
inferredcites →https://doi.org/10.1021/ci020012zopenalex-snapshot
Parallel Algorithms for Graph Cycle Extraction Using the Cyclical Conjunction Operator
inferredcites →https://doi.org/10.1021/ci025584yopenalex-snapshot
The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics
inferredcites →https://doi.org/10.1021/ci960013popenalex-snapshot
Ring Perception Using Breadth-First Search
inferredcites →https://doi.org/10.1021/ci960322fopenalex-snapshot
A New Algorithm for Exhaustive Ring Perception in a Molecular Graph
inferredcites →https://doi.org/10.1021/ic991032uopenalex-snapshot
Hydrogen−Deuterium Exchange in Decaborane(14): Mechanistic Studies
inferredcites →https://doi.org/10.1021/ja00396a058openalex-snapshot
Rearrangement of a geometrically restricted triepoxide to the first topologically nonplanar molecule: a reaction path elucidated by using oxygen isotope effects on carbon-13 chemical shifts
inferredcites →https://doi.org/10.1021/jo00186a023openalex-snapshot
Factors conducive to the cascade rearrangement of sterically congested and geometrically restricted three-membered rings. Facile synthesis of a topologically nonplanar heterocycle
inferredcites →https://doi.org/10.1080/10637199608915603openalex-snapshot
ENUMERATING ALL CYCLES OF A PLANAR GRAPH
inferredcites →https://doi.org/10.1137/0210062openalex-snapshot
An Efficient Cycle Vector Space Algorithm for Listing All Cycles of a Planar Graph
inferredcites →https://doi.org/10.1137/0216026openalex-snapshot
A Polynomial-Time Algorithm to Find the Shortest Cycle Basis of a Graph
inferredcites →https://doi.org/10.1137/0406027openalex-snapshot
Counting Embeddings of Planar Graphs Using DFS Trees
inferredcites →https://doi.org/10.1137/s0895480190177042openalex-snapshot
The All-Pairs Min Cut Problem and the Minimum Cycle Basis Problem on Planar Graphs
inferredcites →https://doi.org/10.1145/355984.355988openalex-snapshot
Algorithms for Generating Fundamental Cycles in a Graph
inferredcites →https://doi.org/10.2307/2371086openalex-snapshot
Congruent Graphs and the Connectivity of Graphs
inferredcites →https://doi.org/10.2307/2371182openalex-snapshot
On the Abstract Properties of Linear Dependence
inferredcites →https://doi.org/10.37236/1294openalex-snapshot
Union of all the Minimum Cycle Bases of a Graph
inferredcites →https://doi.org/10.37236/1354openalex-snapshot
Minimal Cycle Bases of Outerplanar Graphs
inferredcites →https://doi.org/10.37236/1494openalex-snapshot
Interchangeability of Relevant Cycles in Graphs
inferredcites →https://doi.org/10.4064/fm-28-1-22-32openalex-snapshot
A combinatorial condition for planar graphs

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Computer Processing of Chemical Structure Information
inferred← citeshttps://doi.org/10.1002/jcc.24309openalex-snapshot
Automatic molecular structure perception for the universal force field
inferred← citeshttps://doi.org/10.1002/minf.201200171openalex-snapshot
Rendering Molecular Sketches for Publication Quality Output
inferred← citeshttps://doi.org/10.1002/net.20080openalex-snapshot
Minimum path bases and relevant paths
inferred← citeshttps://doi.org/10.1002/net.21757openalex-snapshot
Computing cyclic invariants for molecular graphs
inferred← citeshttps://doi.org/10.1002/wcms.61openalex-snapshot
Computer‐aided synthesis design: 40 years on
inferred← citeshttps://doi.org/10.1007/s10114-009-7160-5openalex-snapshot
Minor and minimum cycle bases of a 3-connected planar graph
inferred← citeshttps://doi.org/10.1007/s10822-026-00892-5openalex-snapshot
HighDB: a structure-annotated cyclic peptide database for comparative analysis, template retrieval, and design-oriented applications
inferred← citeshttps://doi.org/10.1016/j.cosrev.2009.08.001openalex-snapshot
Cycle bases in graphs characterization, algorithms, complexity, and applications
inferred← citeshttps://doi.org/10.1016/j.dam.2008.06.047openalex-snapshot
A note on fundamental, non-fundamental, and robust cycle bases
inferred← citeshttps://doi.org/10.1016/j.fluid.2024.114148openalex-snapshot
Extension of the Constantinou and Gani group contribution method with the Tochigi method through an automatic conversion procedure
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FLIP: An assisting software in structure based drug design using fingerprint of protein-ligand interaction profiles
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Crystal nets as graphs: Terminology and definitions
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Ring structure analysis of ethanol–water mixtures
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00736openalex-snapshot
RingDecomposerLib: An Open-Source Implementation of Unique Ring Families and Other Cycle Bases
inferred← citeshttps://doi.org/10.1021/acs.jctc.3c01031openalex-snapshot
Time-Resolved Graphs of Polymorphic Cycles for H-Bonded Network Identification in Flexible Biomolecules
inferred← citeshttps://doi.org/10.1021/ci050550mopenalex-snapshot
2D Structure Depiction
inferred← citeshttps://doi.org/10.1021/ci100209aopenalex-snapshot
From Structure Diagrams to Visual Chemical Patterns
inferred← citeshttps://doi.org/10.1021/ci300363copenalex-snapshot
Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing
inferred← citeshttps://doi.org/10.1021/ci400235uopenalex-snapshot
Characterization of Heterocyclic Rings through Quantum Chemical Topology
inferred← citeshttps://doi.org/10.1021/ci700342hopenalex-snapshot
Scaffold Topologies. 2. Analysis of Chemical Databases
inferred← citeshttps://doi.org/10.1021/ci800135hopenalex-snapshot
Chemical Descriptors Library (CDL): A Generic, Open Source Software Library for Chemical Informatics
inferred← citeshttps://doi.org/10.1073/pnas.0813040106openalex-snapshot
A robust method for searching the smallest set of smallest rings with a path-included distance matrix
inferred← citeshttps://doi.org/10.1103/physreve.111.034303openalex-snapshot
Cyclic random graph models predicting giant molecules in hydrocarbon pyrolysis
inferred← citeshttps://doi.org/10.1186/1758-2946-5-s1-o8openalex-snapshot
Let's talk about rings
inferred← citeshttps://doi.org/10.1186/1758-2946-6-3openalex-snapshot
Efficient ring perception for the Chemistry Development Kit
inferred← citeshttps://doi.org/10.1186/s13321-017-0220-4openalex-snapshot
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching
inferred← citeshttps://doi.org/10.1186/s13321-022-00582-yopenalex-snapshot
LEADD: Lamarckian evolutionary algorithm for de novo drug design
inferred← citeshttps://doi.org/10.1201/b10959-42openalex-snapshot
Near Products
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Cheminformatics for genome-scale metabolic reconstructions
inferred← citeshttps://doi.org/10.26493/1855-3974.104.5b7openalex-snapshot
A note on quasi-robust cycle bases
inferred← citeshttps://doi.org/10.26493/1855-3974.172.8a7openalex-snapshot
Minimum cycle bases of lexicographic products
inferred← citeshttps://doi.org/10.26493/1855-3974.226.0a2openalex-snapshot
Convex cycle bases
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Technical Note: Development of chemoinformatic tools to enumerate functional groups in molecules for organic aerosol characterization
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Additional file 1 of LEADD: Lamarckian evolutionary algorithm for de novo drug design
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