LoFT: Similarity-driven multiobjective focused library design

Journal of Chemical Information and Modeling

Volumn 50, Issue 1, 2010, Pages 1-21

  Robert Fischer, J ^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; ITERATIVE METHODS; LIBRARIES; MOLECULES; PHYSICOCHEMICAL PROPERTIES; PRODUCT DESIGN;

BIOACTIVE MOLECULES; CHEMICAL FRAGMENTS; CHEMICAL SEARCHES; COMBINATORIAL LIBRARY DESIGN; LIBRARY COMPOUNDS; PHYSICO-CHEMICAL DESCRIPTORS; REAGENT SELECTION; SCORING FUNCTIONS;

TREES (MATHEMATICS);

CYCLIN DEPENDENT KINASE 2; HISTAMINE H3 RECEPTOR ANTAGONIST; PROTEIN KINASE INHIBITOR; SEROTONIN 2 RECEPTOR;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMBINATORIAL CHEMISTRY; CONFORMATION; DATA STORAGE DEVICE; DRUG ANTAGONISM; DRUG DESIGN; METHODOLOGY; MOLECULAR LIBRARY; PHYSICAL CHEMISTRY; REPRODUCIBILITY; TIME;

ALGORITHMS; COMBINATORIAL CHEMISTRY TECHNIQUES; COMPUTER STORAGE DEVICES; CYCLIN-DEPENDENT KINASE 2; DRUG DESIGN; HISTAMINE H3 ANTAGONISTS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PHYSICOCHEMICAL PROCESSES; PROTEIN KINASE INHIBITORS; RECEPTORS, SEROTONIN, 5-HT2; REPRODUCIBILITY OF RESULTS; SMALL MOLECULE LIBRARIES; TIME FACTORS;

EID: 75749102187     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci900287p     Document Type: Article

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