Maximum common subgraph isomorphism algorithms for the matching of chemical structures

Journal of Computer-Aided Molecular Design

Volumn 16, Issue 7, 2002, Pages 521-533

  Raymond, John W ^a   Willett, Peter ^b  

^a PFIZER INC   (United States)

^b UNIVERSITY OF SHEFFIELD   (United Kingdom)

Author keywords

Algorithm; Graph matching; Graph simularity; Isomorphism algorithm; Maximum common subraph; Maximum common substructure

Indexed keywords

PATTERN MATCHING; STRUCTURE (COMPOSITION);

CHEMOINFORMATICS; GRAPH MATCHINGS; GRAPH SIMULARITY; ISOMORPHISM ALGORITHM; MAXIMUM COMMON SUBGRAPHS; MAXIMUM COMMON SUBRAPH; MAXIMUM COMMON SUBSTRUCTURE; SUBGRAPH ISOMORPHISM; SUBGRAPH PROBLEMS;

SET THEORY;

ALGORITHM; CHEMICAL STRUCTURE; COMPUTER GRAPHICS; COMPUTER PROGRAM; COMPUTER SIMULATION; CONTROLLED STUDY; MATHEMATICAL COMPUTING; MEDICAL INFORMATICS; MEDICAL LITERATURE; PRIORITY JOURNAL; REVIEW; STRUCTURAL HOMOLOGY;

EID: 0036663707     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1021271615909     Document Type: Review

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