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Publikationen 2018

Zeitschriften


Fréchet ChemNet Distance: A Metric for Generative Models for Molecules in Drug Discovery

Author(s):

Kristina Preuer, Philipp Renz, Thomas Unterthiner, Sepp Hochreiter, Günter Klambauer

Published: J. Chem. Inf. Model., Article ASAP  doi.org/10.1021/acs.jcim.8b00234

Large-scale comparison of machine learning methods for drug target prediction on ChEMBL  Chem. Sci

Multivariate analytics of chromatographic data: Visual computing based on moving window factor models J. Chromatogr. B.

Author(s): Valentin Steinwandter, Michal Šišmiš, Patrick Sagmeister, Ulrich Bodenhofer, Christoph Herwig
Published: J. Chromatogr. B., 1092:179-190, 2018 doi.org/10.1016/j.jchromb.2018.06.010

Defining objective clusters for rabies virus sequences using affinity propagation clustering PLoS Neglect. Trop. Dis.

Author(s): Susanne Fischer, Conrad M. Freuling, Thomas Müller, Florian Pfaff, Ulrich Bodenhofer, Dirk Höper, Mareike Fischer, Denise A. Marston, Anthony R. Fooks, Thomas C. Mettenleiter, Franz J. Conraths, Timo Homeier-Bachmann
Published: PLoS Neglect. Trop. Dis., 12(1):e0006182, 2018 doi.org/10.1371/journal.pntd.0006182

Konferenzen

End-to-End Learning of Pharmacological Assays from High-resolution Microscopy Images NIPS

Author(s):

Markus Hofmarcher, Elisabeth Rumetshofer, Markus Holzleitner, Bernhard Schäfl, Sepp Hochreiter, Günter Klambauer

Published: Women in Machine Learning Workshop, Conference Neural Information Processing Systems Foundation (NIPS 2018), December 3-8, 2018, Montreal, Canada

Interpretable Deep Learning in Drug Development NIPS

Author(s):

Kristina Preuer, Johannes Brandstetter, Günter Klambauer, Sepp Hochreiter, Thomas Unterthiner

Published: Women in Machine Learning Workshop, Conference Neural Information Processing Systems Foundation (NIPS 2018), December 3-8, 2018, Montreal, Canada

Fréchet ChemNet Distance: A Metric for Generative Models for Molecules in Drug Discovery NIPS

Author(s):

Kristina Preuer, Philipp Renz, Thomas Unterthiner, Johannes Kofler, Sepp Hochreiter, Günter Klambauer

Published: Women in Machine Learning Workshop, Conference Neural Information Processing Systems Foundation (NIPS 2018), December 3-8, 2018, Montreal, Canada

Characterising Activation Functions By Their Backwards Dynamics Around Forward Fixed Points NIPS
 

Author(s):

Pieter-Jan Hoedt, Sepp Hochreiter, Günter Klambauer

Published: Conference Neural Information Processing Systems Foundation (NIPS 2018), December 3-8, 2018, Montreal, Canada  

 

GPU-driven Deep Learning Paves New Ways for Drug Discovery Through High-Content Imaging GTC

Author(s): Maciej Kandula, Elisabeth Rumetshofer, Markus Hofmarcher, Günter Klambauer, Sepp Hochreiter
Published: Poster at GPU Technology Conference 2018, October 9-11, 2018, Munich, Germany (Best Paper Award)

First Order Generative Adversarial Networks ICML

Author(s): Calvin Seward, Thomas Unterthiner, Urs Bergmann, Nikolay Jetchev, Sepp Hochreiter
Published: International Conference on Machine Learning, July 10-15, 2018, Stockholm, Sweden

Coulomb GANs: Provably Optimal Nash Equilibria via Potential Fields ICLR

Author(s): Thomas Unterthiner, Bernhard Nessler, Calvin Seward, Günter Klambauer, Martin Heusel, Hubert Ramsauer, Sepp Hochreiter
Published: International Conference on Learning Representations, April 30 - May 03, 2018, Vancouver, Canada

Making Sense of Very Rare and Private Single-Nucleotide Variants MAQC

Author(s): Ulrich Bodenhofer, Sepp Hochreiter
Published: MAQC Society Second Annual Meeting, February 24-27, 2018, Shanghai, China

Publikationen (non-peer-reviewed)

First Order Generative Adversarial Networks arXiv.org

Author(s): Calvin Seward, Thomas Unterthiner, Urs Bergmann, Nikolay Jetchev, Sepp Hochreiter
Published: arXiv.org, June 2018
Download: arXiv:1802.04591

RUDDER: Return Decomposition for Delayed Rewards arXiv.org

Coulomb GANs: Provably Optimal Nash Equilibria via Potential Fields arXiv.org

Author(s): Thomas Unterthiner, Bernhard Nessler, Calvin Seward, Günter Klambauer, Martin Heusel, Hubert Ramsauer, Sepp Hochreiter
Published: arXiv.org, Jan 2018
Download: arXiv:1708.08819

Abschlussarbeiten