One- To four-dimensional kernels for virtual screening and the prediction of physical, chemical, and biological properties

Journal of Chemical Information and Modeling

Volumn 47, Issue 3, 2007, Pages 965-974

  Azencott, Chloé Agathe ^a,b   Ksikes, Alexandre ^a,c   Swamidass, S Joshua ^a,b   Chen, Jonathan H ^a,b   Ralaivola, Liva ^a,d   Baldi, Pierre ^a,b  

^a Ringgold Standard Institution Informatics   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^d AIX MARSEILLE UNIVERSITY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL PROPERTIES; DATA STRUCTURES; LEARNING SYSTEMS; MELTING POINT; MOLECULAR DYNAMICS; PHYSICAL PROPERTIES; SOLUTIONS; WORLD WIDE WEB;

AQUEOUS SOLUBILITY; BIOLOGICAL PROPERTY; CHEMOINFORMATICS APPLICATIONS;

SCREENING;

ALKANE; BENZODIAZEPINE DERIVATIVE; DRUG;

ARTICLE; CHEMISTRY; DRUG SCREENING; INFORMATION SCIENCE; METHODOLOGY; SOLUBILITY; TRANSITION TEMPERATURE;

ALKANES; BENZODIAZEPINES; DRUG EVALUATION, PRECLINICAL; INFORMATICS; PHARMACEUTICAL PREPARATIONS; SOLUBILITY; TRANSITION TEMPERATURE;

EID: 34250813174     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci600397p     Document Type: Article

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