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QSAR Models for Reproductive Toxicity and Endocrine Disruption Activity
Reproductive toxicity is an important regulatory endpoint, which is required in registration procedures of chemicals used for different purposes (for example pesticides). The in vivo tests are expensive, time consuming and require large numbers of animals, which must be sacrificed. Therefore an effo...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Molecular Diversity Preservation International
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6257250/ https://www.ncbi.nlm.nih.gov/pubmed/20336027 http://dx.doi.org/10.3390/molecules15031987 |
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author | Novič, Marjana Vračko, Marjan |
author_facet | Novič, Marjana Vračko, Marjan |
author_sort | Novič, Marjana |
collection | PubMed |
description | Reproductive toxicity is an important regulatory endpoint, which is required in registration procedures of chemicals used for different purposes (for example pesticides). The in vivo tests are expensive, time consuming and require large numbers of animals, which must be sacrificed. Therefore an effort is ongoing to develop alternative In vitro and in silico methods to evaluate reproductive toxicity. In this review we describe some modeling approaches. In the first example we describe the CAESAR model for prediction of reproductive toxicity; the second example shows a classification model for endocrine disruption potential based on counter propagation artificial neural networks; the third example shows a modeling of relative binding affinity to rat estrogen receptor, and the fourth one shows a receptor dependent modeling experiment. |
format | Online Article Text |
id | pubmed-6257250 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | Molecular Diversity Preservation International |
record_format | MEDLINE/PubMed |
spelling | pubmed-62572502018-12-04 QSAR Models for Reproductive Toxicity and Endocrine Disruption Activity Novič, Marjana Vračko, Marjan Molecules Review Reproductive toxicity is an important regulatory endpoint, which is required in registration procedures of chemicals used for different purposes (for example pesticides). The in vivo tests are expensive, time consuming and require large numbers of animals, which must be sacrificed. Therefore an effort is ongoing to develop alternative In vitro and in silico methods to evaluate reproductive toxicity. In this review we describe some modeling approaches. In the first example we describe the CAESAR model for prediction of reproductive toxicity; the second example shows a classification model for endocrine disruption potential based on counter propagation artificial neural networks; the third example shows a modeling of relative binding affinity to rat estrogen receptor, and the fourth one shows a receptor dependent modeling experiment. Molecular Diversity Preservation International 2010-03-22 /pmc/articles/PMC6257250/ /pubmed/20336027 http://dx.doi.org/10.3390/molecules15031987 Text en © 2010 by the authors; licensee Molecular Diversity Preservation International, Basel, Switzerland. This article is an open-access article distributed under the terms and conditions of the Creative Commons Attribution license (http://creativecommons.org/licenses/by/3.0/). |
spellingShingle | Review Novič, Marjana Vračko, Marjan QSAR Models for Reproductive Toxicity and Endocrine Disruption Activity |
title | QSAR Models for Reproductive Toxicity and Endocrine Disruption Activity |
title_full | QSAR Models for Reproductive Toxicity and Endocrine Disruption Activity |
title_fullStr | QSAR Models for Reproductive Toxicity and Endocrine Disruption Activity |
title_full_unstemmed | QSAR Models for Reproductive Toxicity and Endocrine Disruption Activity |
title_short | QSAR Models for Reproductive Toxicity and Endocrine Disruption Activity |
title_sort | qsar models for reproductive toxicity and endocrine disruption activity |
topic | Review |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6257250/ https://www.ncbi.nlm.nih.gov/pubmed/20336027 http://dx.doi.org/10.3390/molecules15031987 |
work_keys_str_mv | AT novicmarjana qsarmodelsforreproductivetoxicityandendocrinedisruptionactivity AT vrackomarjan qsarmodelsforreproductivetoxicityandendocrinedisruptionactivity |