Mutagenesis 1991-09-01

QSAR prediction of rodent carcinogenicity for a set of chemicals currently bioassayed by the US National Toxicology Program.

R Benigni

文献索引：Mutagenesis 6 , 423, (1991)

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摘要

A QSAR model based on the combination of two molecular descriptors--estimated electrophilic reactivity and Ashby's structural alerts--was used to predict the carcinogenicity of 44 chemicals currently bioassayed by the US National Toxicology Program. These predictions will be compared with the rodent carcinogenicity assay results as the assays are completed.