The Importance of the QSAR-QSPR Methodology to the Theoretical Study of Pesticides

Autores
Duchowicz, Pablo Román; Castro, Eduardo Alberto
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In this paper, we reviewed various interesting applications of the Quantitative Structure-Activity/Property Relationships (QSAR-QSPR) Theory in pesticide research, with special emphasis on studies developed during the last decade. Different types of chemical structures were considered as pesticide agents. The environmental fate of pesticides is determined by partitioning between environmental compartments, and by transport and degradation processes. It is known that ecotoxicity assessment is essential before placing new chemical substances on the market, and so we reviewed the QSAR-QSPR applications on different properties, such as the Bioconcentration Factor, Soil/Sediment Sorption Coefficient, Toxicity, Aqueous Solubility, and Air to Water Partitioning. Finally, we revised different specific studies in this field
Fil: Duchowicz, Pablo Román. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina. Universidad Nacional de La Plata; Argentina
Fil: Castro, Eduardo Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina. Universidad Nacional de La Plata; Argentina
Materia
Teoría Qsar
Pesticidas
Descriptores Moleculares
Validation
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/5326
Acceder
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network_name_str CONICET Digital (CONICET)
spelling The Importance of the QSAR-QSPR Methodology to the Theoretical Study of PesticidesDuchowicz, Pablo RománCastro, Eduardo AlbertoTeoría QsarPesticidasDescriptores MolecularesValidationhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1In this paper, we reviewed various interesting applications of the Quantitative Structure-Activity/Property Relationships (QSAR-QSPR) Theory in pesticide research, with special emphasis on studies developed during the last decade. Different types of chemical structures were considered as pesticide agents. The environmental fate of pesticides is determined by partitioning between environmental compartments, and by transport and degradation processes. It is known that ecotoxicity assessment is essential before placing new chemical substances on the market, and so we reviewed the QSAR-QSPR applications on different properties, such as the Bioconcentration Factor, Soil/Sediment Sorption Coefficient, Toxicity, Aqueous Solubility, and Air to Water Partitioning. Finally, we revised different specific studies in this fieldFil: Duchowicz, Pablo Román. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina. Universidad Nacional de La Plata; ArgentinaFil: Castro, Eduardo Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina. Universidad Nacional de La Plata; ArgentinaNova Science Publishers2013-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/vnd.openxmlformats-officedocument.wordprocessingml.documentapplication/pdfhttp://hdl.handle.net/11336/5326Duchowicz, Pablo Román; Castro, Eduardo Alberto; The Importance of the QSAR-QSPR Methodology to the Theoretical Study of Pesticides; Nova Science Publishers; International Journal of Chemical Modeling; 5; 1; 4-2013; 35-501941-3955enginfo:eu-repo/semantics/altIdentifier/url/https://www.novapublishers.com/catalog/product_info.php?products_id=41525info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:50:48Zoai:ri.conicet.gov.ar:11336/5326instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 09:50:48.62CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv The Importance of the QSAR-QSPR Methodology to the Theoretical Study of Pesticides
title The Importance of the QSAR-QSPR Methodology to the Theoretical Study of Pesticides
spellingShingle The Importance of the QSAR-QSPR Methodology to the Theoretical Study of Pesticides
Duchowicz, Pablo Román
Teoría Qsar
Pesticidas
Descriptores Moleculares
Validation
title_short The Importance of the QSAR-QSPR Methodology to the Theoretical Study of Pesticides
title_full The Importance of the QSAR-QSPR Methodology to the Theoretical Study of Pesticides
title_fullStr The Importance of the QSAR-QSPR Methodology to the Theoretical Study of Pesticides
title_full_unstemmed The Importance of the QSAR-QSPR Methodology to the Theoretical Study of Pesticides
title_sort The Importance of the QSAR-QSPR Methodology to the Theoretical Study of Pesticides
dc.creator.none.fl_str_mv Duchowicz, Pablo Román
Castro, Eduardo Alberto
author Duchowicz, Pablo Román
author_facet Duchowicz, Pablo Román
Castro, Eduardo Alberto
author_role author
author2 Castro, Eduardo Alberto
author2_role author
dc.subject.none.fl_str_mv Teoría Qsar
Pesticidas
Descriptores Moleculares
Validation
topic Teoría Qsar
Pesticidas
Descriptores Moleculares
Validation
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv In this paper, we reviewed various interesting applications of the Quantitative Structure-Activity/Property Relationships (QSAR-QSPR) Theory in pesticide research, with special emphasis on studies developed during the last decade. Different types of chemical structures were considered as pesticide agents. The environmental fate of pesticides is determined by partitioning between environmental compartments, and by transport and degradation processes. It is known that ecotoxicity assessment is essential before placing new chemical substances on the market, and so we reviewed the QSAR-QSPR applications on different properties, such as the Bioconcentration Factor, Soil/Sediment Sorption Coefficient, Toxicity, Aqueous Solubility, and Air to Water Partitioning. Finally, we revised different specific studies in this field
Fil: Duchowicz, Pablo Román. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina. Universidad Nacional de La Plata; Argentina
Fil: Castro, Eduardo Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina. Universidad Nacional de La Plata; Argentina
description In this paper, we reviewed various interesting applications of the Quantitative Structure-Activity/Property Relationships (QSAR-QSPR) Theory in pesticide research, with special emphasis on studies developed during the last decade. Different types of chemical structures were considered as pesticide agents. The environmental fate of pesticides is determined by partitioning between environmental compartments, and by transport and degradation processes. It is known that ecotoxicity assessment is essential before placing new chemical substances on the market, and so we reviewed the QSAR-QSPR applications on different properties, such as the Bioconcentration Factor, Soil/Sediment Sorption Coefficient, Toxicity, Aqueous Solubility, and Air to Water Partitioning. Finally, we revised different specific studies in this field
publishDate 2013
dc.date.none.fl_str_mv 2013-04
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/5326
Duchowicz, Pablo Román; Castro, Eduardo Alberto; The Importance of the QSAR-QSPR Methodology to the Theoretical Study of Pesticides; Nova Science Publishers; International Journal of Chemical Modeling; 5; 1; 4-2013; 35-50
1941-3955
url http://hdl.handle.net/11336/5326
identifier_str_mv Duchowicz, Pablo Román; Castro, Eduardo Alberto; The Importance of the QSAR-QSPR Methodology to the Theoretical Study of Pesticides; Nova Science Publishers; International Journal of Chemical Modeling; 5; 1; 4-2013; 35-50
1941-3955
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.novapublishers.com/catalog/product_info.php?products_id=41525
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/vnd.openxmlformats-officedocument.wordprocessingml.document
application/pdf
dc.publisher.none.fl_str_mv Nova Science Publishers
publisher.none.fl_str_mv Nova Science Publishers
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.13397

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