A multivariate chemical similarity approach to search for drugs of potential environmental concern

Journal of Chemical Information and Modeling

Volumn 51, Issue 8, 2011, Pages 1788-1794

  Andersson, Patrik L ^a   Fick, Jerker ^a   Rännar, Stefan ^a  

^a UMEÅ UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDES; MOLECULES; NEAREST NEIGHBOR SEARCH; ORGANIC CHEMICALS; ORGANIC POLLUTANTS;

CHEMICAL DESCRIPTORS; CHEMICAL SIMILARITY; ENVIRONMENTAL CONCERNS; ENVIRONMENTAL POLLUTANTS; EUCLIDEAN DISTANCE; PERSISTENT ORGANIC POLLUTANT (POP); RELATIVE DISTANCES; STRUCTURAL SIMILARITY;

CHEMICAL ANALYSIS;

CARBAMAZEPINE; DICLOFENAC; PESTICIDE; PRESCRIPTION DRUG; TRIMETHOPRIM;

ALGORITHM; ARTICLE; CHEMICAL PHENOMENA; CHEMISTRY; DANGEROUS GOODS; ENVIRONMENT; FACTUAL DATABASE; MOLECULAR WEIGHT; MULTIVARIATE ANALYSIS; POLLUTANT; PRINCIPAL COMPONENT ANALYSIS; RISK ASSESSMENT; STATIC ELECTRICITY;

ALGORITHMS; CARBAMAZEPINE; DATABASES, FACTUAL; DICLOFENAC; ENVIRONMENT; ENVIRONMENTAL POLLUTANTS; HAZARDOUS SUBSTANCES; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MOLECULAR WEIGHT; MULTIVARIATE ANALYSIS; PESTICIDES; PRESCRIPTION DRUGS; PRINCIPAL COMPONENT ANALYSIS; RISK ASSESSMENT; STATIC ELECTRICITY; TRIMETHOPRIM;

EID: 80051984155     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200107b     Document Type: Article

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