Use of the index of ideality of correlation to improve aquatic solubility model-Reference-Cited by-同舟云学术

Use of the index of ideality of correlation to improve aquatic solubility model

Published:2020-05 Issue: Volume:96 Page:107525
ISSN:1093-3263
Container-title:Journal of Molecular Graphics and Modelling
language:en
Short-container-title:Journal of Molecular Graphics and Modelling

Author:

Toropov Andrey A.,Toropova Alla P.,Marzo Marco,Benfenati Emilio

Funder

LIFE-VERMEER

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference30 articles.

1. In silico prediction of aqueous solubility: a comparative study of local and global predictive models;Raevsky;Mol. Inf.,2015

2. Conformation-independent quantitative structure-property relationships study on water solubility of pesticides;Fioressi;Ecotoxicol. Environ. Saf.,2019

3. Rapid experimental measurements of physicochemical properties to inform models and testing;Nicolas;Sci. Total Environ.,2018

4. The study of the index of ideality of correlation as a new criterion of predictive potential of QSPR/QSAR-models;Toropov;Sci. Total Environ.,2019

5. Guidance on Information Requirements and Chemical Safety Assessment. Chapter R.7a: Endpoint Specific Guidance. Version 6.0;European Chemical Agency (ECHA),2017

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