MultiMCS: A fast algorithm for the maximum common substructure problem on multiple molecules

Journal of Chemical Information and Modeling

Volumn 51, Issue 4, 2011, Pages 788-806

  Hariharan, Ramesh ^a   Janakiraman, Anand ^a   Nilakantan, Ramaswamy ^a   Singh, Bhupender ^a   Varghese, Sajith ^a   Landrum, Gregory ^b   Schuffenhauer, Ansgar ^b  

^a Kirloskar Business Park ^*  (India)

^b NOVARTIS PHARMA AG   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

GRAPH ALGORITHMS; GRAPHIC METHODS; HEURISTIC ALGORITHMS; MOLECULES;

DIVIDE AND CONQUER; FAST ALGORITHMS; GRAPH-BASED ALGORITHMS; MATCHING CRITERION;

CLUSTERING ALGORITHMS;

ALGORITHM; ARTICLE; ARTIFICIAL INTELLIGENCE; AUTOMATED PATTERN RECOGNITION; CHEMICAL STRUCTURE; CLUSTER ANALYSIS; METHODOLOGY; STATISTICAL ANALYSIS;

ALGORITHMS; ARTIFICIAL INTELLIGENCE; CLUSTER ANALYSIS; MATCHED-PAIR ANALYSIS; MOLECULAR STRUCTURE; PATTERN RECOGNITION, AUTOMATED;

EID: 79955388687     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100297y     Document Type: Article

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