Interpretable Deep Learning in Drug Discovery

v1v2 (latest)

Interpretable Deep Learning in Drug Discovery

7 March 2019

Kristina Preuer

Günter Klambauer

Sepp Hochreiter

Thomas Unterthiner

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Papers citing "Interpretable Deep Learning in Drug Discovery"

12 / 12 papers shown

Title
Explaining Deep Neural Networks and Beyond: A Review of Methods and Applications Wojciech Samek G. Montavon Sebastian Lapuschkin Christopher J. Anders K. Müller XAI 123 83 0 17 Mar 2020
Fréchet ChemNet Distance: A metric for generative models for molecules in drug discovery Kristina Preuer Philipp Renz Thomas Unterthiner Sepp Hochreiter Günter Klambauer MedIm 98 340 0 26 Mar 2018
Coulomb GANs: Provably Optimal Nash Equilibria via Potential Fields Thomas Unterthiner Bernhard Nessler Calvin Seward Günter Klambauer M. Heusel Hubert Ramsauer Sepp Hochreiter GAN 75 75 0 29 Aug 2017
Self-Normalizing Neural Networks Günter Klambauer Thomas Unterthiner Andreas Mayr Sepp Hochreiter 489 2,520 0 08 Jun 2017
Molecular De Novo Design through Deep Reinforcement Learning Marcus Olivecrona T. Blaschke Ola Engkvist Hongming Chen BDL 150 1,019 0 25 Apr 2017
Network Dissection: Quantifying Interpretability of Deep Visual Representations David Bau Bolei Zhou A. Khosla A. Oliva Antonio Torralba MILM FAtt 158 1,526 1 19 Apr 2017
Neural Message Passing for Quantum Chemistry Justin Gilmer S. Schoenholz Patrick F. Riley Oriol Vinyals George E. Dahl 598 7,496 0 04 Apr 2017
Axiomatic Attribution for Deep Networks Mukund Sundararajan Ankur Taly Qiqi Yan OOD FAtt 193 6,027 0 04 Mar 2017
Molecular Graph Convolutions: Moving Beyond Fingerprints S. Kearnes Kevin McCloskey Marc Berndl Vijay S. Pande Patrick F. Riley GNN 156 1,449 0 02 Mar 2016
Convolutional Networks on Graphs for Learning Molecular Fingerprints David Duvenaud D. Maclaurin J. Aguilera-Iparraguirre Rafael Gómez-Bombarelli Timothy D. Hirzel Alán Aspuru-Guzik Ryan P. Adams GNN 229 3,357 0 30 Sep 2015
Deep Learning of Representations: Looking Forward Yoshua Bengio 225 683 0 02 May 2013
How to Explain Individual Classification Decisions D. Baehrens T. Schroeter Stefan Harmeling M. Kawanabe K. Hansen K. Müller FAtt 146 1,104 0 06 Dec 2009

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