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Build-Up Algorithm for Atomic Correspondence between Chemical Structures
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Protein structure comparison using the Markov transition model of evolution
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Revised algorithms for the build‐up procedure for predicting protein conformations by energy minimization
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Backtrack search algorithms and the maximal common subgraph problem
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The complexity and accuracy of discrete state models of protein structure
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Structural Alphabets for Protein Structure Classification: A Comparison Study
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An algorithm for reporting maximal c -cliques
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Enumerating all connected maximal common subgraphs in two graphs
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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/ci00009a016openalex-snapshot
MCSS: a new algorithm for perception of maximal common substructures and its application to NMR spectral studies. 1. The algorithm
inferredcites →https://doi.org/10.1021/ci00009a019openalex-snapshot
Molecular substructure similarity searching: efficient retrieval in two-dimensional structure databases
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Substructure searching methods: Old and new
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Matching two-dimensional chemical graphs using genetic algorithms
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Heuristics for Similarity Searching of Chemical Graphs Using a Maximum Common Edge Subgraph Algorithm
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Geometric Accuracy of Three-Dimensional Molecular Overlays
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PZIM: A Method for Similarity Searching Using Atom Environments and 2D Alignment
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Graph-Based Molecular Alignment (GMA)
inferredcites →https://doi.org/10.1021/ci900109nopenalex-snapshot
Elucidating Molecular Overlays from Pairwise Alignments Using a Genetic Algorithm
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EMCSS: A New Method for Maximal Common Substructure Search
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Applications of artificial intelligence for chemical inference. XIII. Labeling of objects having symmetry
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Development of a Chemical Structure Comparison Method for Integrated Analysis of Chemical and Genomic Information in the Metabolic Pathways
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Control of Hepatitis C: A Medicinal Chemistry Perspective
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Searching Techniques for Databases of Two- and Three-Dimensional Chemical Structures
inferredcites →https://doi.org/10.1021/jm060167oopenalex-snapshot
Do Structurally Similar Ligands Bind in a Similar Fashion?
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Feature trees: A new molecular similarity measure based on tree matching
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Maximum common subgraph isomorphism algorithms for the matching of chemical structures
inferredcites →https://doi.org/10.1093/bioinformatics/btn186openalex-snapshot
A maximum common substructure-based algorithm for searching and predicting drug-like compounds
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RASCAL: Calculation of Graph Similarity using Maximum Common Edge Subgraphs
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The worldwide Protein Data Bank (wwPDB): ensuring a single, uniform archive of PDB data
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Comparison of spatial arrangements of secondary structural elements in proteins
inferredcites →https://doi.org/10.1145/362342.362367openalex-snapshot
Algorithm 457: finding all cliques of an undirected graph
inferredcites →https://doi.org/10.1186/1758-2946-1-12openalex-snapshot
Small Molecule Subgraph Detector (SMSD) toolkit
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Disconnected Maximum Common Substructures under Constraints
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Additional file 1 of Reaction rebalancing: a novel approach to curating reaction databases
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Additional file 2 of Reaction rebalancing: a novel approach to curating reaction databases
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