How similar are similarity searching methods? A principal component analysis of molecular descriptor space

Journal of Chemical Information and Modeling

Volumn 49, Issue 1, 2009, Pages 108-119

  Bender, Andreas ^a   Jenkins, Jeremy L ^a   Scheiber, Josef ^a   Sukuru, Sai Chetan K ^a   Glick, Meir ^a   Davies, John W ^a  

^a NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDES; PHARMACODYNAMICS;

BRANCHING PATTERNS; CONSENSUS SCORING; EUCLIDEAN DISTANCE; MOLECULAR DESCRIPTORS; PARAMETRIZATIONS; PRESENCE/ABSENCE; SIMILARITY SEARCHING; VIRTUAL SCREENING;

QUERY PROCESSING;

ARTICLE; CHEMICAL STRUCTURE; COMPARATIVE STUDY; COMPUTER INTERFACE; DRUG SCREENING; FACTUAL DATABASE; INFORMATION SCIENCE; PRINCIPAL COMPONENT ANALYSIS;

DATABASES, FACTUAL; DRUG EVALUATION, PRECLINICAL; INFORMATICS; MOLECULAR STRUCTURE; PRINCIPAL COMPONENT ANALYSIS; USER-COMPUTER INTERFACE;

EID: 61949166066     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800249s     Document Type: Article

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