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Predicting toxicity through a computer automated structure evaluation program.

The computer automated structure evaluation program (CASE) has been extended to perform automatic quantitative structure-activity relationships (QSAR). Applications include the carcinogenicity of polycyclic aromatic hydrocarbons and of N-nitrosamines. Agreement with experiment is satisfactory.

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Autor principal: Klopman, G
Format: Artigo
Idioma:Inglês
Publicat: 1985
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC1568758/
https://ncbi.nlm.nih.gov/pubmed/3840739
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