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Review of ring perception algorithms for chemical graphs
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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A Topological Approach to the Problem of Ring Structures
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Computer program for finding all possible cycles in graphs
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Fast algorithm for ring perception
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Bounds on Backtrack Algorithms for Listing Cycles, Paths, and Spanning Trees
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Ein effektives Verfahren für die automatische Erkennung von Ringen in chemischen Graphen
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A search strategy for the elementary cycles of a directed graph
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The Number of Paths and Cycles in a Digraph
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Linear graphs and electrical networks
inferredcites →https://doi.org/10.1016/0020-0190(74)90045-3openalex-snapshot
Note on a modification of the fundamental cycles finding algorithm
inferredcites →https://doi.org/10.1016/0020-0190(80)90030-7openalex-snapshot
On a cycle finding algorithm
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Computer-Assisted Structure Elucidation
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The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service.
inferredcites →https://doi.org/10.1021/c160040a013openalex-snapshot
Mathematical Basis of Ring-Finding Algorithms in CIDS
inferredcites →https://doi.org/10.1021/ci00030a010openalex-snapshot
Computer-assisted mechanistic evaluation of organic reactions. 2. Perception of rings, aromaticity, and tautomers
inferredcites →https://doi.org/10.1021/ci00038a002openalex-snapshot
Heuristic approach for displaying chemical structures
inferredcites →https://doi.org/10.1021/ci00040a006openalex-snapshot
Unique numbering and cataloging of molecular structures
inferredcites →https://doi.org/10.1021/ci00044a002openalex-snapshot
Condensed structure identification and ring perception
inferredcites →https://doi.org/10.1021/ci00044a003openalex-snapshot
Derivation of the principle of smallest set of smallest rings from Euler's polyhedron equation and a simplified technique for finding this set
inferredcites →https://doi.org/10.1021/ci00045a004openalex-snapshot
Effect of taxonomy class and spanning set on identifying and counting rings in a compound
inferredcites →https://doi.org/10.1021/ci00045a005openalex-snapshot
Topologically different models to be used as the basis for ring compound taxonomy
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/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/ci00063a008openalex-snapshot
Theoretical aspects of ring perception and development of the extended set of smallest rings concept
inferredcites →https://doi.org/10.1021/ci60003a003openalex-snapshot
Use of Ring Assemblies in Ring Perception Algorithm
inferredcites →https://doi.org/10.1021/ci60005a013openalex-snapshot
An Algorithm for Finding the Smallest Set of Smallest Rings
inferredcites →https://doi.org/10.1021/ci60016a005openalex-snapshot
A Fortran IV Program for Finding the Smallest Set of Smallest Rings of a Graph
inferredcites →https://doi.org/10.1021/ci60017a011openalex-snapshot
An Algorithm for the Perception of Synthetically Important Rings
inferredcites →https://doi.org/10.1021/ja00757a021openalex-snapshot
Techniques for perception by a computer of synthetically significant structural features in complex molecules
inferredcites →https://doi.org/10.1021/ja00757a023openalex-snapshot
Algorithm for machine perception of synthetically significant rings in complex cyclic organic structures
inferredcites →https://doi.org/10.1021/jo01299a001openalex-snapshot
Computer-assisted mechanistic evaluation of organic reactions. 1. Overview
inferredcites →https://doi.org/10.1039/p19730001239openalex-snapshot
An algorithm for finding the synthetically important rings of a molecule
inferredcites →https://doi.org/10.1109/tct.1967.1082662openalex-snapshot
Generation of all Hamiltonian Circuits, Paths, and Centers of a Graph, and Related Problems
inferredcites →https://doi.org/10.1109/tct.1967.1082699openalex-snapshot
A Systematic Method of Finding All Directed Circuits and Enumerating All DIrected Paths
inferredcites →https://doi.org/10.1109/tct.1968.1082837openalex-snapshot
On finding the simple paths and circuits in a graph
inferredcites →https://doi.org/10.1126/science.166.3902.178openalex-snapshot
Computer-Assisted Design of Complex Organic Syntheses
inferredcites →https://doi.org/10.1137/0114051openalex-snapshot
Self-Avoiding Paths and the Adjacency Matrix of a Graph
inferredcites →https://doi.org/10.1137/0201010openalex-snapshot
Depth-First Search and Linear Graph Algorithms
inferredcites →https://doi.org/10.1137/0202017openalex-snapshot
Enumeration of the Elementary Circuits of a Directed Graph
inferredcites →https://doi.org/10.1137/0204007openalex-snapshot
Finding All the Elementary Circuits of a Directed Graph
inferredcites →https://doi.org/10.1137/0205007openalex-snapshot
On Algorithms for Enumerating All Circuits of a Graph
inferredcites →https://doi.org/10.1145/321328.321331openalex-snapshot
A Mechanical Analysis of the Cyclic Structure of Undirected Linear Graphs
inferredcites →https://doi.org/10.1145/321541.321545openalex-snapshot
A Cycle Generation Algorithm for Finite Undirected Linear Graphs
inferredcites →https://doi.org/10.1145/321679.321684openalex-snapshot
A New Search Algorithm for Finding the Simple Cycles of a Finite Directed Graph
inferredcites →https://doi.org/10.1145/355744.355746openalex-snapshot
The Matrix Rearrangement Procedure for Graph-Theoretical Algorithms and Its Application to the Generation of Fundamental Cycles
inferredcites →https://doi.org/10.1145/355984.355988openalex-snapshot
Algorithms for Generating Fundamental Cycles in a Graph
inferredcites →https://doi.org/10.1145/362375.362406openalex-snapshot
Algorithm 459: the elementary circuits of a graph
inferredcites →https://doi.org/10.1145/362814.362819openalex-snapshot
An efficient search algorithm to find the elementary circuits of a graph
inferredcites →https://doi.org/10.1145/363219.363232openalex-snapshot
An algorithm for finding a fundamental set of cycles of a graph
inferredcites →https://doi.org/10.1145/363848.363861openalex-snapshot
Algorithms for finding a fundamental set of cycles for an undirected linear graph
inferredcites →https://doi.org/10.1145/365813.365842openalex-snapshot
Systematic generation of Hamiltonian circuits
inferredcites →https://doi.org/10.4064/am-16-4-631-639openalex-snapshot
On a minimum cycle basis of a graph
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Minimum Cycle Base Of Graphs Identified By Two Planar Graphs
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ChemInform Abstract: Review of Ring Perception Algorithms for Chemical Graphs.
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Scaffold Searching: Automated Identification of Similar Ring Systems for the Design of Combinatorial Libraries
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Three-Dimensional Quantitative Structure−Activity Relationship Modeling of Cocaine Binding by a Novel Human Monoclonal Antibody
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Comparative Molecular Active Site Analysis (CoMASA). 1. An Approach to Rapid Evaluation of 3D QSAR
inferred← citeshttps://doi.org/10.1021/jm030378iopenalex-snapshot
Application of CoMFA and CoMSIA 3D-QSAR and Docking Studies in Optimization of Mercaptobenzenesulfonamides as HIV-1 Integrase Inhibitors
inferred← citeshttps://doi.org/10.1021/jm030876ropenalex-snapshot
Three-Dimensional Quantitative Structure−Activity Relationship Analysis of Propafenone-Type Multidrug Resistance Modulators: Influence of Variable Selection on Test Set Predictivity
inferred← citeshttps://doi.org/10.1021/jm040153nopenalex-snapshot
CoMFA and CoMSIA Analyses of Pneumocystis carinii Dihydrofolate Reductase, Toxoplasma gondii Dihydrofolate Reductase, and Rat Liver Dihydrofolate Reductase
inferred← citeshttps://doi.org/10.1021/jm0490540openalex-snapshot
Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-ray Crystallography
inferred← citeshttps://doi.org/10.1021/jm049061oopenalex-snapshot
Symmetrical Bis-Quinolinium Compounds: New Human Choline Kinase Inhibitors with Antiproliferative Activity against the HT-29 Cell Line
inferred← citeshttps://doi.org/10.1021/jm049187lopenalex-snapshot
Structural Requirements for Factor Xa Inhibition by 3-Oxybenzamides with Neutral P1 Substituents: Combining X-ray Crystallography, 3D-QSAR, and Tailored Scoring Functions
inferred← citeshttps://doi.org/10.1021/jm0492296openalex-snapshot
LEA3D: A Computer-Aided Ligand Design for Structure-Based Drug Design
inferred← citeshttps://doi.org/10.1021/jm050468iopenalex-snapshot
Scaffold Hopping through Virtual Screening Using 2D and 3D Similarity Descriptors: Ranking, Voting, and Consensus Scoring
inferred← citeshttps://doi.org/10.1021/jm050685jopenalex-snapshot
Design, Synthesis, and Microbiological Evaluation of New Candida albicans CYP51 Inhibitors
inferred← citeshttps://doi.org/10.1021/jm060217popenalex-snapshot
Quest for the Rings. In Silico Exploration of Ring Universe To Identify Novel Bioactive Heteroaromatic Scaffolds
inferred← citeshttps://doi.org/10.1021/jm060239bopenalex-snapshot
A Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA) of Anthranilamide Derivatives That Are Multidrug Resistance Modulators
inferred← citeshttps://doi.org/10.1021/jm060277vopenalex-snapshot
A New Synthesis of Sulfonamides by Aminolysis ofp-Nitrophenylsulfonates Yielding Potent and Selective Adenosine A2BReceptor Antagonists
inferred← citeshttps://doi.org/10.1021/jm0611152openalex-snapshot
Structure−Selectivity Investigations of D2-Like Receptor Ligands by CoMFA and CoMSIA Guiding the Discovery of D3Selective PET Radioligands
inferred← citeshttps://doi.org/10.1021/jm070261kopenalex-snapshot
Three-Dimensional Quantitative Structure−Activity Relationships and Activity Predictions of Human TRPV1 Channel Antagonists: Comparative Molecular Field Analysis and Comparative Molecular Similarity Index Analysis of Cinnamides
inferred← citeshttps://doi.org/10.1021/jm940778topenalex-snapshot
An Approach to Rapid Estimation of Relative Binding Affinities of Enzyme Inhibitors: Application to Peptidomimetic Inhibitors of the Human Immunodeficiency Virus Type 1 Protease
inferred← citeshttps://doi.org/10.1021/jm950861wopenalex-snapshot
3-Amino-3,4-dihydro-2H-1-benzopyran Derivatives as 5-HT1A Receptor Ligands and Potential Anxiolytic Agents. 2. Synthesis and Quantitative Structure−Activity Relationship Studies of Spiro[pyrrolidine- and piperidine-2,3‘(2‘H)-benzopyrans]
inferred← citeshttps://doi.org/10.1021/jm960768nopenalex-snapshot
(2-Methyl-5-(methylsulfonyl)benzoyl)guanidine Na+/H+ Antiporter Inhibitors
inferred← citeshttps://doi.org/10.1021/jm9706776openalex-snapshot
A Scoring Scheme for Discriminating between Drugs and Nondrugs
inferred← citeshttps://doi.org/10.1021/jm970732aopenalex-snapshot
Three-Dimensional Quantitative Similarity−Activity Relationships (3D QSiAR) from SEAL Similarity Matrices
inferred← citeshttps://doi.org/10.1021/jm980631sopenalex-snapshot
Quantitative Structure−Activity Relationship of Human Neutrophil Collagenase (MMP-8) Inhibitors Using Comparative Molecular Field Analysis and X-ray Structure Analysis
inferred← citeshttps://doi.org/10.1021/jm981037lopenalex-snapshot
F lex S: A Method for Fast Flexible Ligand Superposition
inferred← citeshttps://doi.org/10.1021/jm981062ropenalex-snapshot
Three-Dimensional Quantitative Structure−Activity Relationship Analyses Using Comparative Molecular Field Analysis and Comparative Molecular Similarity Indices Analysis To Elucidate Selectivity Differences of Inhibitors Binding to Trypsin, Thrombin, and Factor Xa
inferred← citeshttps://doi.org/10.1021/jm990250uopenalex-snapshot
Affinity and Selectivity of Matrix Metalloproteinase Inhibitors: A Chemometrical Study from the Perspective of Ligands and Proteins
inferred← citeshttps://doi.org/10.1021/jm991124topenalex-snapshot
3D-QSAR CoMFA Study on Imidazolinergic I2 Ligands: A Significant Model through a Combined Exploration of Structural Diversity and Methodology
inferred← citeshttps://doi.org/10.1021/jo047927sopenalex-snapshot
Antioxidant Properties of Natural and Synthetic Chromanol Derivatives: Study by Fast Kinetics and Electron Spin Resonance Spectroscopy
inferred← citeshttps://doi.org/10.1021/jp206665wopenalex-snapshot
Hydrogen Bonding and Molecular Aggregates in Liquid Methanol, Ethanol, and 1-Propanol
inferred← citeshttps://doi.org/10.1021/jp5118807openalex-snapshot
Combustion Chemistry via Metadynamics: Benzyl Decomposition Revisited
inferred← citeshttps://doi.org/10.1021/jp980230oopenalex-snapshot
Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods
inferred← citeshttps://doi.org/10.1021/la981638fopenalex-snapshot
The Role of Lipophilicity in Oxidation of Mustard Gas Analogues from Micellar Solutions
inferred← citeshttps://doi.org/10.1021/mp034006hopenalex-snapshot
Molecular Properties of WHO Essential Drugs and Provisional Biopharmaceutical Classification
inferred← citeshttps://doi.org/10.1021/np070002yopenalex-snapshot
ChemGPS-NP: Tuned for Navigation in Biologically Relevant Chemical Space
inferred← citeshttps://doi.org/10.1021/pr049780ropenalex-snapshot
Prediction of Peptide Retention at Different HPLC Conditions from Multiple Linear Regression Models
inferred← citeshttps://doi.org/10.1039/d0sc05788fopenalex-snapshot
Defining and navigating macrocycle chemical space
inferred← citeshttps://doi.org/10.1063/1.2772627openalex-snapshot
Topological building blocks of hydrogen bond network in water
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/10.1080/10629360600884421openalex-snapshot
Complexity of chemical graphs in terms of size, branching, and cyclicity
inferred← citeshttps://doi.org/10.1080/1062936x.2017.1423376openalex-snapshot
Molecular activity prediction by means of supervised subspace projection based ensembles of classifiers
inferred← citeshttps://doi.org/10.1090/dimacs/051/26openalex-snapshot
An abstract representation for molecular graphs
inferred← citeshttps://doi.org/10.1107/s2059798317000067openalex-snapshot
AceDRG : a stereochemical description generator for ligands
inferred← citeshttps://doi.org/10.1177/01655515030294003openalex-snapshot
Chemoinformatics Research at the University of Sheffield: A History and Citation Analysis
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/s13321-023-00761-5openalex-snapshot
A molecule perturbation software library and its application to study the effects of molecular design constraints
inferred← citeshttps://doi.org/10.1360/za2006-36-2-134openalex-snapshot
曲面上图的短圈结构与Mohar和Thomassen的一个问题的解决
inferred← citeshttps://doi.org/10.17863/cam.15987openalex-snapshot
Cheminformatics for genome-scale metabolic reconstructions
inferred← citeshttps://doi.org/10.2477/jccj.2.119openalex-snapshot
Chemical Data Mining Based on Structural Similarity
inferred← citeshttps://doi.org/10.2477/jccj.2017-0049openalex-snapshot
Development of NTG–Activity Dictionary Tool forBio-Organic Compounds
inferred← citeshttps://doi.org/10.37236/1294openalex-snapshot
Union of all the Minimum Cycle Bases of a Graph
inferred← citeshttps://doi.org/10.37236/1354openalex-snapshot
Minimal Cycle Bases of Outerplanar Graphs
inferred← citeshttps://doi.org/10.37236/1494openalex-snapshot
Interchangeability of Relevant Cycles in Graphs
inferred← citeshttps://doi.org/10.4028/www.scientific.net/amm.312.745openalex-snapshot
Cycle Bases Structure of out Planar Graphs on the Projective Plane in Mechanics Engineering
inferred← citeshttps://doi.org/10.5194/acp-16-4401-2016openalex-snapshot
Technical Note: Development of chemoinformatic tools to enumerate functional groups in molecules for organic aerosol characterization
inferred← citeshttps://doi.org/10.5281/zenodo.1332657openalex-snapshot
On Minimum Cycle Bases Of The Wreath Product Of Wheels With Stars
inferred← citeshttps://doi.org/10.5281/zenodo.9221openalex-snapshot
Structures Of Cycle Bases With Some Extremal Properties
inferred← citeshttps://doi.org/10.55937/sut/1126269185openalex-snapshot
An upper bound of the basis number of the semi-strong product of bipartite graphs
inferred← citeshttps://doi.org/10.6084/m9.figshare.26619985openalex-snapshot
Additional file 1 of A molecule perturbation software library and its application to study the effects of molecular design constraints
inferred← citeshttps://doi.org/10.63028/10067/2051650151162165141openalex-snapshot
Computational design of synthesizable molecules by imitating reference chemistry
inferred← citeshttps://doi.org/10.7151/dmgt.1200openalex-snapshot
Circuit bases of strongly connected digraphs
inferred← citeshttps://doi.org/10.7151/dmgt.1306openalex-snapshot
On the basic number and the minimum cycle bases of the wreath product of some graphs I.
inferred← citeshttps://doi.org/10.7151/dmgt.1403openalex-snapshot
Minimal cycle bases of the lexigraphic product of graphs
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