Interpretable Deep Learning in Drug Discovery

Interpretable Deep Learning in Drug Discovery

7 March 2019

Kristina Preuer

Sepp Hochreiter

Thomas Unterthiner

Papers citing "Interpretable Deep Learning in Drug Discovery"

13 / 13 papers shown

Title
Riemann Sum Optimization for Accurate Integrated Gradients Computation Swadesh Swain Shree Singhi 23 0 0 05 Oct 2024
MAMI: Multi-Attentional Mutual-Information for Long Sequence Neuron Captioning Alfirsa Damasyifa Fauzulhaq Wahyu Parwitayasa Joseph A. Sugihdharma M. F. Ridhani N. Yudistira 34 0 0 05 Jan 2024
SCAAT: Improving Neural Network Interpretability via Saliency Constrained Adaptive Adversarial Training Rui Xu Wenkang Qin Peixiang Huang Hao Wang Lin Luo FAtt AAML 28 2 0 09 Nov 2023
A Comprehensive Survey on Deep Graph Representation Learning Wei Ju Zheng Fang Yiyang Gu Zequn Liu Qingqing Long ... Jingyang Yuan Yusheng Zhao Yifan Wang Xiao Luo Ming Zhang GNN AI4TS 54 141 0 11 Apr 2023
Disentangled Explanations of Neural Network Predictions by Finding Relevant Subspaces Pattarawat Chormai J. Herrmann Klaus-Robert Muller G. Montavon FAtt 48 17 0 30 Dec 2022
Explanation from Specification Harish Naik Gyorgy Turán XAI 27 0 0 13 Dec 2020
Modern Hopfield Networks and Attention for Immune Repertoire Classification Michael Widrich Bernhard Schafl Hubert Ramsauer Milena Pavlović Lukas Gruber ... Johannes Brandstetter G. K. Sandve Victor Greiff Sepp Hochreiter G. Klambauer 193 117 0 16 Jul 2020
Drug discovery with explainable artificial intelligence José Jiménez-Luna F. Grisoni G. Schneider 30 625 0 01 Jul 2020
Large-scale ligand-based virtual screening for SARS-CoV-2 inhibitors using deep neural networks M. Hofmarcher Andreas Mayr Elisabeth Rumetshofer Peter Ruch Philipp Renz ... Philipp Seidl Andreu Vall Michael Widrich Sepp Hochreiter G. Klambauer 21 46 0 25 Mar 2020
Explaining Deep Neural Networks and Beyond: A Review of Methods and Applications Wojciech Samek G. Montavon Sebastian Lapuschkin Christopher J. Anders K. Müller XAI 44 82 0 17 Mar 2020
Towards Explainable Artificial Intelligence Wojciech Samek K. Müller XAI 32 436 0 26 Sep 2019
Evaluating Explanation Without Ground Truth in Interpretable Machine Learning Fan Yang Mengnan Du Xia Hu XAI ELM 27 66 0 16 Jul 2019
Self-Referencing Embedded Strings (SELFIES): A 100% robust molecular string representation Mario Krenn Florian Hase AkshatKumar Nigam Pascal Friederich Alán Aspuru-Guzik 11 70 0 31 May 2019