ToxCast EPA in Vitro to in Vivo Challenge: Insight into the Rank-I Model.
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ABSTRACT:
SUBMITTER: Novotarskyi S
PROVIDER: S-EPMC5413193 | biostudies-literature | 2016 May
REPOSITORIES: biostudies-literature
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ToxCast EPA in Vitro to in Vivo Challenge: Insight into the Rank-I Model.
Novotarskyi Sergii S Abdelaziz Ahmed A Sushko Yurii Y Körner Robert R Vogt Joachim J Tetko Igor V IV
Chemical research in toxicology 20160427 5
The ToxCast EPA challenge was managed by TopCoder in Spring 2014. The goal of the challenge was to develop a model to predict the lowest effect level (LEL) concentration based on in vitro measurements and calculated in silico descriptors. This article summarizes the computational steps used to develop the Rank-I model, which calculated the lowest prediction error for the secret test data set of the challenge. The model was developed using the publicly available Online CHEmical database and Model ...[more]
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