Exploring fragment spaces under multiple physicochemical constraints

Journal of Computer-Aided Molecular Design

Volumn 21, Issue 6, 2007, Pages 327-340

  Pärn, Juri ^a   Degen, Jörg ^a   Rarey, Matthias ^a  

^a UNIVERSITY OF HAMBURG   (Germany)

Author keywords

Chemical fragment spaces; Computer chemistry; De novo design; Enumeration; Library design; Ligand based design

Indexed keywords

CHEMICAL FRAGMENT SPACE; CHEMICAL FRAGMENTS; COMPUTER CHEMISTRY; DE NOVO DESIGN; ENUMERATION; LIBRARY DESIGNS; LIGAND-BASED DESIGN; MOLECULAR FRAGMENTS; PHYSICO-CHEMICALS; PROPERTY;

MOLECULES;

ALGORITHM; ARTICLE; CALCULATION; CHEMICAL STRUCTURE; MOLECULAR BIOLOGY; MOLECULAR WEIGHT; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; PROTEIN TARGETING;

EID: 34447330678     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-007-9121-3     Document Type: Article

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