OPERA models for predicting physicochemical properties and environmental fate endpoints

OPERA models for predicting physicochemical properties and environmental fate endpoints

Abstract The collection of chemical structure information and associated experimental data for quantitative structure–activity/property relationship (QSAR/QSPR) modeling is facilitated by an increasing number of public databases containing large amounts of useful data. However, the performance of QS...

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Bibliographic Details
Main Authors: Kamel Mansouri, Chris M. Grulke, Richard S. Judson, Antony J. Williams
Format: Article
Language:English
Published: BMC 2018-03-01
Series:Journal of Cheminformatics
Subjects:
OPERA
QSAR/QSPR
Physicochemical properties
Environmental fate
OECD principles
Open data
Online Access:http://link.springer.com/article/10.1186/s13321-018-0263-1

Internet

http://link.springer.com/article/10.1186/s13321-018-0263-1

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