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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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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
1985
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1568758/ https://www.ncbi.nlm.nih.gov/pubmed/3840739 |