Michael Reutlinger

Publication Activity (10 Years)

Years Active: 2011-2023
Publications (10 Years): 4

Top Topics

Covariate Shift

Top Venues

J. Cheminformatics

J. Comput. Aided Mol. Des.

Publications

Leo Klarner, Tim G. J. Rudner, Michael Reutlinger, Torsten Schindler, Garrett M. Morris, Charlotte M. Deane, Yee Whye Teh
Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions. ICML (2023)
Leo Klarner, Tim G. J. Rudner, Michael Reutlinger, Torsten Schindler, Garrett M. Morris, Charlotte M. Deane, Yee Whye Teh
Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions. CoRR (2023)
Andreas Tosstorff, Markus G. Rudolph, Jason C. Cole, Michael Reutlinger, Christian Kramer, Hervé Schaffhauser, Agnès Nilly, Alexander Flohr, Bernd Kuhn
A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J. Comput. Aided Mol. Des. 36 (10) (2022)
Fabio Broccatelli, Richard Trager, Michael Reutlinger, George Karypis, Mufei Li
Benchmarking Accuracy and Generalizability of Four Graph Neural Networks Using Large In Vitro ADME Datasets from Different Chemical Spaces. CoRR (2021)
Matthias Rupp, Matthias R. Bauer, Rainer Wilcken, Andreas Lange, Michael Reutlinger, Frank M. Boeckler, Gisbert Schneider
Machine Learning Estimates of Natural Product Conformational Energies. PLoS Comput. Biol. 10 (1) (2014)
Michael Reutlinger, Tiago Rodrigues, Petra Schneider, Gisbert Schneider
Go with the flow: de-orphaning focused combinatorial libraries. J. Cheminformatics 6 (S-1) (2014)
Bernd Kuhn, Julian E. Fuchs, Michael Reutlinger, Martin Stahl, Neil R. Taylor
Rationalizing Tight Ligand Binding through Cooperative Interaction Networks. J. Chem. Inf. Model. 51 (12) (2011)
Alexander Klenner, Michael Reutlinger, Gisbert Schneider
Visualization and virtual screening in molecular property spaces. J. Cheminformatics 3 (S-1) (2011)