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Prediction of Oral Bioavailability in Rats: Transferring Insights from in Vitro Correlations to (Deep) Machine Learning Models Using in Silico Model Outputs and Chemical Structure Parameters

Sebastian Schneckener, Sergio Grimbs, Jessica Hey, Stephan Menz, Maren Osmers, Steffen Schaper, Alexander Hillisch, Andreas H. Göller. Prediction of Oral Bioavailability in Rats: Transferring Insights from in Vitro Correlations to (Deep) Machine Learning Models Using in Silico Model Outputs and Chemical Structure Parameters. Journal of Chemical Information and Computer Sciences, 59(11):4893-4905, 2019. [doi]

Authors

Sebastian Schneckener

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Sergio Grimbs

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Jessica Hey

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Stephan Menz

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Maren Osmers

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Steffen Schaper

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Alexander Hillisch

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Andreas H. Göller

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