Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures

Organic and Biomolecular Chemistry

Volumn 2, Issue 22, 2004, Pages 3256-3266

  Hert, Jérôme ^a   Willett, Peter ^a   Wilton, David J ^a   Acklin, Pierre ^b   Azzaoui, Kamal ^b   Jacoby, Edgar ^b   Schuffenhauer, Ansgar ^b  

^a UNIVERSITY OF SHEFFIELD   (United Kingdom)

^b NOVARTIS PHARMA AG   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; ATOMS; CHEMICAL BONDS; COMPUTER SOFTWARE; MOLECULES; STATISTICAL METHODS; TOPOLOGY; VECTORS;

BIOACTIVES; BIOLOGICAL TESTING; TOPOLOGICAL DESCRIPTORS; VIRTUAL SCREENING;

STRUCTURE (COMPOSITION);

DRUG;

ALGORITHM; ARTICLE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; DRUG DESIGN; DRUG SCREENING; FACTUAL DATABASE; METHODOLOGY; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ALGORITHMS; CHEMISTRY, PHARMACEUTICAL; COMPUTER SIMULATION; DATABASES, FACTUAL; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 10244222365     PISSN: 14770520     EISSN: None     Source Type: Journal    
DOI: 10.1039/b409865j     Document Type: Article

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