Visualizing Convolutional Neural Network Protein-Ligand Scoring

Visualizing Convolutional Neural Network Protein-Ligand Scoring

6 March 2018

Joshua E. Hochuli

ArXiv (abs)PDF HTML

Papers citing "Visualizing Convolutional Neural Network Protein-Ligand Scoring"

15 / 15 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
Ligand Pose Optimization with Atomic Grid-Based Convolutional Neural Networks Matthew Ragoza Lillian Turner D. Koes 44 16 0 20 Oct 2017
SchNet: A continuous-filter convolutional neural network for modeling quantum interactions Kristof T. Schütt Pieter-Jan Kindermans Huziel Enoc Sauceda Felix Stefan Chmiela A. Tkatchenko K. Müller 157 1,087 0 26 Jun 2017
Deep Learning Based Regression and Multi-class Models for Acute Oral Toxicity Prediction with Automatic Chemical Feature Extraction Youjun Xu Jianfeng Pei L. Lai 39 192 0 16 Apr 2017
Atomic Convolutional Networks for Predicting Protein-Ligand Binding Affinity Joseph Gomes Bharath Ramsundar Evan N. Feinberg Vijay S. Pande 76 193 0 30 Mar 2017
Protein-Ligand Scoring with Convolutional Neural Networks Matthew Ragoza Joshua E. Hochuli Elisa Idrobo Jocelyn Sunseri D. Koes 64 242 0 08 Dec 2016
Deep Residual Learning for Image Recognition Kaiming He Xinming Zhang Shaoqing Ren Jian Sun MedIm 2.3K 194,641 0 10 Dec 2015
Visualizing Deep Convolutional Neural Networks Using Natural Pre-Images Aravindh Mahendran Andrea Vedaldi FAtt 97 536 0 07 Dec 2015
AtomNet: A Deep Convolutional Neural Network for Bioactivity Prediction in Structure-based Drug Discovery Izhar Wallach Michael Dzamba Abraham Heifets 92 542 0 10 Oct 2015
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 237 3,356 0 30 Sep 2015
Evaluating the visualization of what a Deep Neural Network has learned Wojciech Samek Alexander Binder G. Montavon Sebastian Lapuschkin K. Müller XAI 141 1,200 0 21 Sep 2015
Understanding Neural Networks Through Deep Visualization J. Yosinski Jeff Clune Anh Totti Nguyen Thomas J. Fuchs Hod Lipson FAtt AI4CE 128 1,875 0 22 Jun 2015
Going Deeper with Convolutions Christian Szegedy Wei Liu Yangqing Jia P. Sermanet Scott E. Reed Dragomir Anguelov D. Erhan Vincent Vanhoucke Andrew Rabinovich 505 43,717 0 17 Sep 2014
Caffe: Convolutional Architecture for Fast Feature Embedding Yangqing Jia Evan Shelhamer Jeff Donahue Sergey Karayev Jonathan Long Ross B. Girshick S. Guadarrama Trevor Darrell VLM BDL 3DV 300 14,717 0 20 Jun 2014
Deep Inside Convolutional Networks: Visualising Image Classification Models and Saliency Maps Karen Simonyan Andrea Vedaldi Andrew Zisserman FAtt 328 7,321 0 20 Dec 2013