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Issue 1, 2018

QSAR modeling of cumulative environmental end-points for the prioritization of hazardous chemicals

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Abstract

The hazard of chemicals in the environment is inherently related to the molecular structure and derives simultaneously from various chemical properties/activities/reactivities. Models based on Quantitative Structure Activity Relationships (QSARs) are useful to screen, rank and prioritize chemicals that may have an adverse impact on humans and the environment. This paper reviews a selection of QSAR models (based on theoretical molecular descriptors) developed for cumulative multivariate endpoints, which were derived by mathematical combination of multiple effects and properties. The cumulative end-points provide an integrated holistic point of view to address environmentally relevant properties of chemicals.

Graphical abstract: QSAR modeling of cumulative environmental end-points for the prioritization of hazardous chemicals

Article information


Submitted
30 Oct 2017
Accepted
01 Dec 2017
First published
01 Dec 2017

Environ. Sci.: Processes Impacts, 2018,20, 38-47
Article type
Perspective

QSAR modeling of cumulative environmental end-points for the prioritization of hazardous chemicals

P. Gramatica, E. Papa and A. Sangion, Environ. Sci.: Processes Impacts, 2018, 20, 38 DOI: 10.1039/C7EM00519A

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