Michael Reutlinger

According to our database, Michael Reutlinger authored at least 7 papers between 2011 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2023

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

Leo Klarner, Tim G. J. Rudner, Michael Reutlinger, Torsten Schindler, Garrett M. Morris, Charlotte M. Deane, Yee Whye Teh

Proceedings of the International Conference on Machine Learning, 2023

2022

A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.

Andreas Tosstorff, Markus G. Rudolph, Jason C. Cole, Michael Reutlinger, Christian Kramer, Hervé Schaffhauser, Agnès Nilly, Alexander Flohr, Bernd Kuhn

J. Comput. Aided Mol. Des., 2022

2021

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

Fabio Broccatelli, Richard Trager, Michael Reutlinger, George Karypis, Mufei Li

CoRR, 2021

2014

Machine Learning Estimates of Natural Product Conformational Energies.

Matthias Rupp, Matthias R. Bauer, Rainer Wilcken, Andreas Lange, Michael Reutlinger, Frank M. Boeckler, Gisbert Schneider

PLoS Comput. Biol., 2014

Go with the flow: de-orphaning focused combinatorial libraries.

Michael Reutlinger, Tiago Rodrigues, Petra Schneider, Gisbert Schneider

J. Cheminformatics, 2014

2011

Rationalizing Tight Ligand Binding through Cooperative Interaction Networks.

Bernd Kuhn, Julian E. Fuchs, Michael Reutlinger, Martin Stahl, Neil R. Taylor

J. Chem. Inf. Model., 2011

Visualization and virtual screening in molecular property spaces.

Alexander Klenner, Michael Reutlinger, Gisbert Schneider

J. Cheminformatics, 2011