Improving similarity-driven library design: Customized matching and regioselective feature trees

Journal of Chemical Information and Modeling

Volumn 51, Issue 9, 2011, Pages 2156-2163

  Fischer, J Robert ^a   Lessel, Uta ^b   Rarey, Matthias ^a  

^a UNIVERSITY OF HAMBURG   (Germany)

^b BOEHRINGER INGELHEIM PHARMA GMBH AND CO KG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BUILDINGS; FORESTRY;

AUTOMATIC MATCHING; FEATURE TREE; INFORMATION LOSS; LIBRARY DESIGNS; REDUCED GRAPHS; REGIO-SELECTIVE; SPACE SEARCH; SUBSTITUTION PATTERNS;

TREES (MATHEMATICS);

ARTICLE; MOLECULAR LIBRARY;

SMALL MOLECULE LIBRARIES;

EID: 80053334931     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200014g     Document Type: Article

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