Mining natural-Products screening data for target-Class chemical motifs

Journal of Biomolecular Screening

Volumn 19, Issue 5, 2014, Pages 749-757

  Coma, Isabel ^a   Bandyopadhyay, Deepak ^b   Diez, Emilio ^a   Ruiz, Emilio Alvarez ^a   De Los Frailes, Maria Teresa ^a   Colmenarejo, Gonzalo ^a  

^a GLAXOSMITHKLINE   (Spain)

^b GLAXOSMITHKLINE   (United States)

Author keywords

Computational chemistry; Natural products screening; Statistical analyses; Structure activity relationships

Indexed keywords

HYDROLASE; ION CHANNEL; MOLECULAR SCAFFOLD; NATURAL PRODUCT; OXIDOREDUCTASE; TRANSFERASE; BIOLOGICAL PRODUCT; MOLECULAR LIBRARY;

ARTICLE; BIOASSAY; CLUSTER ANALYSIS; DATA MINING; DRUG TARGETING; HIGH THROUGHPUT SCREENING; PRIORITY JOURNAL; PROCESS OPTIMIZATION; PROTEIN AGGREGATION; ALGORITHM; CHEMISTRY; DRUG DESIGN; HUMAN; IC50; MEDICINAL CHEMISTRY; MOLECULAR LIBRARY; MOLECULAR MODEL; PHARMACOLOGY; PROCEDURES; PROTEIN MOTIF; STATISTICAL MODEL; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; AMINO ACID MOTIFS; BIOLOGICAL PRODUCTS; CHEMISTRY, PHARMACEUTICAL; CLUSTER ANALYSIS; DATA MINING; DRUG DESIGN; HIGH-THROUGHPUT SCREENING ASSAYS; HUMANS; HYDROLASES; INHIBITORY CONCENTRATION 50; MODELS, MOLECULAR; MODELS, STATISTICAL; OXIDOREDUCTASES; SMALL MOLECULE LIBRARIES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84902130987     PISSN: 10870571     EISSN: 1552454X     Source Type: Journal    
DOI: 10.1177/1087057114521463     Document Type: Article

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