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Review of existing QSAR/QSPR models developed for properties used in hazardous chemicals classification system / Flor A. Quintero in Industrial & engineering chemistry research, Vol. 51 N° 49 (Décembre 2012) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 51 N° 49 (Décembre 2012) . - pp. 16101-16115 Titre : Review of existing QSAR/QSPR models developed for properties used in hazardous chemicals classification system Type de document : texte imprimé Auteurs : Flor A. Quintero, Auteur ; Suhani J. Patel, Auteur ; Felipe Munoz, Auteur Année de publication : 2013 Article en page(s) : pp. 16101-16115 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Modeling  Property  structure  relationship Résumé : The development of a globally harmonized system (GHS) on an international level requires various countries to classify chemicals according to hazardous properties using similar categories. The classification criteria include physical, toxic (health), and environmental properties. The GHS is also being included in the U.S. regulations through the Notice of Proposed Rulemaking issued in September 2009 by the Occupational Safety & Health Administration (OSHA). It has been suggested in the rulemaking that, in cases where experimental data are not available to predict some types of hazard, quantitative structure― activity relationships/quantitative structure―property relationships (QSAR/QSPR) can be applied as found necessary. Any chemical or physical property of the material can be related to information within an individual molecule and its structure, thereby developing prediction models such as QSAR and QSPR. This review examines the work published for QSARs/QSPRs (in addition to previously published reviews) on the prediction of some of the hazardous properties for selected hazard classes within the GHS regulation. These models are powerful but, at times, are limited in application for some types of compounds and properties. The development of extensive models will greatly enhance the need for hazardous classifications of chemicals. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26732136 [article] Review of existing QSAR/QSPR models developed for properties used in hazardous chemicals classification system [texte imprimé] / Flor A. Quintero, Auteur ; Suhani J. Patel, Auteur ; Felipe Munoz, Auteur . - 2013 . - pp. 16101-16115. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 51 N° 49 (Décembre 2012) . - pp. 16101-16115 Mots-clés : Modeling  Property  structure  relationship Résumé : The development of a globally harmonized system (GHS) on an international level requires various countries to classify chemicals according to hazardous properties using similar categories. The classification criteria include physical, toxic (health), and environmental properties. The GHS is also being included in the U.S. regulations through the Notice of Proposed Rulemaking issued in September 2009 by the Occupational Safety & Health Administration (OSHA). It has been suggested in the rulemaking that, in cases where experimental data are not available to predict some types of hazard, quantitative structure― activity relationships/quantitative structure―property relationships (QSAR/QSPR) can be applied as found necessary. Any chemical or physical property of the material can be related to information within an individual molecule and its structure, thereby developing prediction models such as QSAR and QSPR. This review examines the work published for QSARs/QSPRs (in addition to previously published reviews) on the prediction of some of the hazardous properties for selected hazard classes within the GHS regulation. These models are powerful but, at times, are limited in application for some types of compounds and properties. The development of extensive models will greatly enhance the need for hazardous classifications of chemicals. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26732136