Integrated decision support for assessing chemical liabilities

Journal of Chemical Information and Modeling

Volumn 51, Issue 8, 2011, Pages 1840-1847

  Spjuth, Ola ^a   Eklund, Martin ^a   Ahlberg Helgee, Ernst ^b   Boyer, Scott ^b   Carlsson, Lars ^b  

^a UPPSALA UNIVERSITY   (Sweden)

^b ASTRAZENECA R AND D   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL CHEMISTRY; MOLECULAR GRAPHICS; PRODUCT LIABILITY; STRUCTURE (COMPOSITION); VISUAL COMMUNICATION; WELL TESTING;

ARYL HYDROCARBON RECEPTOR; COMPOUND COLLECTIONS; COMPUTATIONAL MODEL; DECISION SUPPORTS; DRUG DISCOVERY PROCESS; HYPOTHESIS TESTING; INTEGRATED DECISION; SIMILARITY SEARCH;

DECISION SUPPORT SYSTEMS;

AROMATIC HYDROCARBON RECEPTOR; CARCINOGEN; DRUG; MUTAGENIC AGENT;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; DATA MINING; DRUG DESIGN; DRUG DEVELOPMENT; DRUG TOXICITY; FACTUAL DATABASE; HUMAN; METHODOLOGY; POSITION WEIGHT MATRIX; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ALGORITHMS; CARCINOGENS; CHEMISTRY, PHARMACEUTICAL; COMPUTER SIMULATION; DATA MINING; DATABASES, FACTUAL; DRUG DESIGN; DRUG DISCOVERY; DRUG TOXICITY; HUMANS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; MUTAGENS; PHARMACEUTICAL PREPARATIONS; POSITION-SPECIFIC SCORING MATRICES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, ARYL HYDROCARBON; SOFTWARE;

EID: 80051962255     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200242c     Document Type: Article

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