Application of random forest approach to QSAR prediction of aquatic toxicity

Journal of Chemical Information and Modeling

Volumn 49, Issue 11, 2009, Pages 2481-2488

  Polishchuk, Pavel G ^a   Muratov, Eugene N ^a,b   Artemenko, Anatoly G ^a   Kolumbin, Oleg G ^c   Muratov, Nail N ^d   Kuz'min, Victor E ^a  

^a A V BOGATSKY PHYSICO CHEMICAL INSTITUTE   (Ukraine)

^b UNIVERSITY OF NORTH CAROLINA   (United States)

^c Pridnestrovskij State University   (United States)

^d ODESSA NATIONAL POLYTECHNIC UNIVERSITY   (Ukraine)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ANALYSIS; DECISION TREES; RANDOM FORESTS; TOXICITY;

ADEQUATE MODELS; AQUATIC TOXICITY; NUMBER OF TREES; POLARIZABILITIES; SIMPLEX REPRESENTATION; STATISTICAL APPROACH; STATISTICAL CHARACTERISTICS; TETRAHYMENA PYRIFORMIS;

COMPUTATIONAL CHEMISTRY;

ANIMAL; ARTICLE; CHEMICAL MODEL; DRUG EFFECT; QUANTITATIVE STRUCTURE ACTIVITY RELATION; TETRAHYMENA PYRIFORMIS; VALIDATION STUDY; WATER POLLUTANT;

ANIMALS; MODELS, CHEMICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; TETRAHYMENA PYRIFORMIS; WATER POLLUTANTS, CHEMICAL;

EID: 72949084248     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci900203n     Document Type: Article

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