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Journal Articles Chemical Reviews Year : 2015

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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ineris-01855187 , version 1 (07-08-2018)

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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, 2015, 115 (24), pp.13093-13164. ⟨10.1021/acs.chemrev.5b00215⟩. ⟨ineris-01855187⟩
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