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.

Detalles Bibliográficos
Autor principal: Klopman, G
Formato: Texto
Lenguaje:English
Publicado: 1985
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1568758/
https://www.ncbi.nlm.nih.gov/pubmed/3840739
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author Klopman, G
author_facet Klopman, G
author_sort Klopman, G
collection PubMed
description 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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spelling pubmed-15687582006-09-18 Predicting toxicity through a computer automated structure evaluation program. Klopman, G Environ Health Perspect Research Article 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. 1985-09 /pmc/articles/PMC1568758/ /pubmed/3840739 Text en
spellingShingle Research Article
Klopman, G
Predicting toxicity through a computer automated structure evaluation program.
title Predicting toxicity through a computer automated structure evaluation program.
title_full Predicting toxicity through a computer automated structure evaluation program.
title_fullStr Predicting toxicity through a computer automated structure evaluation program.
title_full_unstemmed Predicting toxicity through a computer automated structure evaluation program.
title_short Predicting toxicity through a computer automated structure evaluation program.
title_sort predicting toxicity through a computer automated structure evaluation program.
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1568758/
https://www.ncbi.nlm.nih.gov/pubmed/3840739
work_keys_str_mv AT klopmang predictingtoxicitythroughacomputerautomatedstructureevaluationprogram

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