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Michael Reutlinger

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2020 – today

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2022
[j5]
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  - journals/jcamd/TosstorffRCRKSN22
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  - https://dblp.org/rec/journals/jcamd/TosstorffRCRKSN22
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): 753-765 (2022)
2021
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  - journals/corr/abs-2111-13964
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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 abs/2111.13964 (2021)

2010 – 2019

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2014
[j4]
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Michael Reutlinger, Tiago Rodrigues, Petra Schneider, Gisbert Schneider:
Go with the flow: de-orphaning focused combinatorial libraries. J. Cheminformatics 6(S-1): 49 (2014)
[j3]
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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)
2011
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  - journals/jcheminf/KlennerRS11
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Alexander Klenner, Michael Reutlinger, Gisbert Schneider:
Visualization and virtual screening in molecular property spaces. J. Cheminformatics 3(S-1): 8 (2011)
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  - journals/jcisd/KuhnFRST11
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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): 3180-3198 (2011)

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