Explainable Deep Relational Networks for Predicting Compound-Protein Affinities and Contacts

29 December 2019

Papers citing "Explainable Deep Relational Networks for Predicting Compound-Protein Affinities and Contacts"

25 / 25 papers shown

Title
Evaluating Explanation Without Ground Truth in Interpretable Machine Learning Fan Yang Mengnan Du Xia Hu XAI ELM 50 67 0 16 Jul 2019
WideDTA: prediction of drug-target binding affinity Hakime Öztürk E. Olmez Arzucan Özgür OOD 53 161 0 04 Feb 2019
Using Attribution to Decode Dataset Bias in Neural Network Models for Chemistry Kevin McCloskey Ankur Taly Federico Monti M. Brenner Lucy J. Colwell 50 85 0 27 Nov 2018
KekuleScope: prediction of cancer cell line sensitivity and compound potency using convolutional neural networks trained on compound images I. Cortés-Ciriano A. Bender MedIm 67 51 0 22 Nov 2018
DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences Xuesu Xiao Jongsoo Keum Mohamed Suhail 43 418 0 06 Nov 2018
How Powerful are Graph Neural Networks? Keyulu Xu Weihua Hu J. Leskovec Stefanie Jegelka GNN 238 7,642 0 01 Oct 2018
PADME: A Deep Learning-based Framework for Drug-Target Interaction Prediction Qingyuan Feng Evgenia V. Dueva Artem Cherkasov Martin Ester 40 86 0 25 Jul 2018
DeepAffinity: Interpretable Deep Learning of Compound-Protein Affinity through Unified Recurrent and Convolutional Neural Networks Mostafa Karimi Di Wu Zhangyang Wang Yang Shen 69 361 0 20 Jun 2018
Learning Longer-term Dependencies in RNNs with Auxiliary Losses Trieu H. Trinh Andrew M. Dai Thang Luong Quoc V. Le 72 180 0 01 Mar 2018
DeepDTA: Deep Drug-Target Binding Affinity Prediction Hakime Öztürk E. Olmez Arzucan Özgür 100 1,077 0 30 Jan 2018
VAIN: Attentional Multi-agent Predictive Modeling Yedid Hoshen GNN 97 238 0 19 Jun 2017
A simple neural network module for relational reasoning Adam Santoro David Raposo David Barrett Mateusz Malinowski Razvan Pascanu Peter W. Battaglia Timothy Lillicrap GNN NAI 177 1,614 0 05 Jun 2017
Atomic Convolutional Networks for Predicting Protein-Ligand Binding Affinity Joseph Gomes Bharath Ramsundar Evan N. Feinberg Vijay S. Pande 49 193 0 30 Mar 2017
Towards A Rigorous Science of Interpretable Machine Learning Finale Doshi-Velez Been Kim XAI FaML 399 3,787 0 28 Feb 2017
Interaction Networks for Learning about Objects, Relations and Physics Peter W. Battaglia Razvan Pascanu Matthew Lai Danilo Jimenez Rezende Koray Kavukcuoglu AI4CE OCL PINN GNN 530 1,409 0 01 Dec 2016
Semi-Supervised Classification with Graph Convolutional Networks Thomas Kipf Max Welling GNN SSL 617 29,051 0 09 Sep 2016
Accurate De Novo Prediction of Protein Contact Map by Ultra-Deep Learning Model Sheng Wang S. Sun Zerui Li Renyu Zhang Jinbo Xu 56 822 0 02 Sep 2016
RETAIN: An Interpretable Predictive Model for Healthcare using Reverse Time Attention Mechanism Edward Choi M. T. Bahadori Joshua A. Kulas A. Schuetz Walter F. Stewart Jimeng Sun AI4TS 115 1,245 0 19 Aug 2016
Visual Relationship Detection with Language Priors Cewu Lu Ranjay Krishna Michael S. Bernstein Li Fei-Fei VLM 76 1,140 0 31 Jul 2016
Human Attention in Visual Question Answering: Do Humans and Deep Networks Look at the Same Regions? Abhishek Das Harsh Agrawal C. L. Zitnick Devi Parikh Dhruv Batra 95 465 0 11 Jun 2016
Adversarial Feature Learning Jiasen Lu Philipp Krahenbuhl Trevor Darrell GAN 109 1,831 0 31 May 2016
Studying Very Low Resolution Recognition Using Deep Networks Zhangyang Wang Shiyu Chang Yingzhen Yang Ding Liu Thomas S. Huang 43 226 0 16 Jan 2016
AtomNet: A Deep Convolutional Neural Network for Bioactivity Prediction in Structure-based Drug Discovery Izhar Wallach Michael Dzamba Abraham Heifets 82 542 0 10 Oct 2015
Show, Attend and Tell: Neural Image Caption Generation with Visual Attention Ke Xu Jimmy Ba Ryan Kiros Kyunghyun Cho Aaron Courville Ruslan Salakhutdinov R. Zemel Yoshua Bengio DiffM 337 10,069 0 10 Feb 2015
Neural Machine Translation by Jointly Learning to Align and Translate Dzmitry Bahdanau Kyunghyun Cho Yoshua Bengio AIMat 552 27,300 0 01 Sep 2014