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A general guidebook for the theoretical prediction of physicochemical properties of chemicals for regulatory purposes

Abstract : This document aims at reviewing the molecular modeling approaches available as a fast and reliable alternative approach to experiments for the physicochemical properties required by the REACH regulation.
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https://hal-ineris.archives-ouvertes.fr/ineris-01855187
Contributor : Gestionnaire Civs <>
Submitted on : Tuesday, August 7, 2018 - 2:45:49 PM
Last modification on : Tuesday, September 22, 2020 - 3:58:46 AM

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Carlos Nieto-Draghi, Guillaume Fayet, Benoît Creton, Xavier Rozanska, Patricia Rotureau, et al.. A general guidebook for the theoretical prediction of physicochemical properties of chemicals for regulatory purposes. Chemical Reviews, American Chemical Society, 2015, 115 (24), pp.13093-13164. ⟨10.1021/acs.chemrev.5b00215⟩. ⟨ineris-01855187⟩

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