KnowTox: pipeline and case study for confident prediction of potential toxic effects of compounds in early phases of development

KnowTox: pipeline and case study for confident prediction of potential toxic effects of compounds in early phases of development

Abstract Risk assessment of newly synthesised chemicals is a prerequisite for regulatory approval. In this context, in silico methods have great potential to reduce time, cost, and ultimately animal testing as they make use of the ever-growing amount of available toxicity data. Here, KnowTox is pres...

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Bibliographic Details
Main Authors: Andrea Morger, Miriam Mathea, Janosch H. Achenbach, Antje Wolf, Roland Buesen, Klaus-Juergen Schleifer, Robert Landsiedel, Andrea Volkamer
Format: Article
Language:English
Published: BMC 2020-04-01
Series:Journal of Cheminformatics
Subjects:
Toxicity prediction
ToxCast
Read-across
Random forest
Conformal prediction
Confidence estimation
Online Access:http://link.springer.com/article/10.1186/s13321-020-00422-x

Internet

http://link.springer.com/article/10.1186/s13321-020-00422-x

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