Michael Reutlinger | DeepAI

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Featured Co-authors

Yee Whye Teh
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George Karypis
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Tim G. J. Rudner
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Leo Klarner
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Garrett M. Morris
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Mufei Li
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Torsten Schindler
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Charlotte Deane
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Fabio Broccatelli
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research

∙ 07/14/2023

Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions

Accelerating the discovery of novel and more effective therapeutics is a...

0 Leo Klarner, et al. ∙

research

∙ 11/27/2021

Benchmarking Accuracy and Generalizability of Four Graph Neural Networks Using Large In Vitro ADME Datasets from Different Chemical Spaces

In this work, we benchmark a variety of single- and multi-task graph neu...

4 Fabio Broccatelli, et al. ∙

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