Feature trees: A new molecular similarity measure based on tree matching

Journal of Computer-Aided Molecular Design

Volumn 12, Issue 5, 1998, Pages 471-490

  Rarey, Matthias ^a   Dixon, J Scott ^b,c  

^a FRAUNHOFER INSTITUTE FOR APPLIED INFORMATION TECHNOLOGY FIT   (Germany)

^b GLAXOSMITHKLINE   (United Kingdom)

^c Metaphorics LLC   (United States)

Author keywords

Database screening; Molecular descriptors; Molecular similarity; Molecular superposition; Structural alignment

Indexed keywords

BINDING ENERGY; FORESTRY; STATISTICAL TESTS; TREES (MATHEMATICS);

DATABASE SCREENINGS; FEATURE TREE; LINEAR REPRESENTATION; MATCHINGS; MOLECULAR DESCRIPTORS; MOLECULAR SIMILARITY; MOLECULAR SUPERPOSITION; SIMILARITY MEASURE; STRUCTURAL ALIGNMENTS; TREE-MATCHING;

MOLECULES;

PROTEIN;

ALGORITHM; ARTICLE; CHEMISTRY; DATA BASE;

ALGORITHMS; DATABASE MANAGEMENT SYSTEMS; PROTEINS;

EID: 0032149905     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008068904628     Document Type: Article

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