A knowledge-based weighting approach to ligand-based virtual screening

Journal of Chemical Information and Modeling

Volumn 46, Issue 2, 2006, Pages 587-596

  Stiefl, Nikolaus ^a,b   Zaliani, Andrea ^a  

^a Eli Lilly Research Laboratories   (Germany)

^b NOVARTIS PHARMA AG   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ENGINEERING; COMPUTER SYSTEMS PROGRAMMING; DATA REDUCTION; DRUG PRODUCTS; GRAPH THEORY; KNOWLEDGE BASED SYSTEMS; MOLECULAR STRUCTURE; MUTAGENESIS; NUCLEAR MAGNETIC RESONANCE; PROTEINS; SCAFFOLDS; SET THEORY; SURFACE PLASMON RESONANCE; VIRTUAL REALITY; X RAYS;

EXTENDING REDUCED GRAPHS (ERG); PEPTIDOMIMETIC LIGANDS; VIRTUAL SCREENING; WEIGHTING APPROACH;

SCREENING;

DRUG; LIGAND;

ARTICLE; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DATA BASE; DRUG DESIGN; DRUG SCREENING; METABOLISM; METHODOLOGY; PROTEIN BINDING;

COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; DATABASES; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; LIGANDS; MOLECULAR STRUCTURE; PHARMACEUTICAL PREPARATIONS; PROTEIN BINDING;

EID: 33646261627     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci050324c     Document Type: Conference Paper

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