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Modified tabu search approach for variable selection in quantitative structure–activity relationship studies of toxicity of aromatic compounds

✍ Scribed by Qi Shen; Wei-Min Shi; Wei Kong


Book ID
113469670
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
280 KB
Volume
49
Category
Article
ISSN
0933-3657

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For six random splits, one-variable models of rat toxicity (minus decimal logarithm of the 50% lethal dose [pLD50], oral exposure) have been calculated with CORAL software (http://www.insilico.eu/coral/). The total number of considered compounds is 689. New additional global attributes of the simpli