Toxicity Prediction using Deep Learning

4 March 2015

Papers citing "Toxicity Prediction using Deep Learning"

22 / 22 papers shown

Title
A Deep Neural Network -- Mechanistic Hybrid Model to Predict Pharmacokinetics in Rat Florian Führer Andrea Gruber Holger Diedam A. Göller Stephan Menz S. Schneckener 15 3 0 13 Oct 2023
GraphGANFed: A Federated Generative Framework for Graph-Structured Molecules Towards Efficient Drug Discovery Daniel Manu Jingjing Yao Wuji Liu Xiang Sun FedML 30 6 0 11 Apr 2023
Improving Compound Activity Classification via Deep Transfer and Representation Learning Vishal Dey R. Machiraju Xia Ning AAML 17 3 0 14 Nov 2021
Seed Stocking Via Multi-Task Learning Yunhe Feng Wenjun Zhou 8 0 0 12 Jan 2021
Explaining Chemical Toxicity using Missing Features Kar Wai Lim Bhanushee Sharma Payel Das Vijil Chenthamarakshan J. Dordick 9 7 0 23 Sep 2020
Semi-Supervised Hierarchical Drug Embedding in Hyperbolic Space Ke Yu Shyam Visweswaran Kayhan Batmanghelich BDL 11 27 0 01 Jun 2020
libmolgrid: GPU Accelerated Molecular Gridding for Deep Learning Applications Jocelyn Sunseri D. Koes AI4CE 16 32 0 10 Dec 2019
Efficient Toxicity Prediction via Simple Features Using Shallow Neural Networks and Decision Trees Abdul Karim Avinash Mishra M. A. Hakim Newton A. Sattar 11 55 0 26 Jan 2019
Using Attribution to Decode Dataset Bias in Neural Network Models for Chemistry Kevin McCloskey Ankur Taly Federico Monti M. Brenner Lucy J. Colwell 22 85 0 27 Nov 2018
CarePre: An Intelligent Clinical Decision Assistance System Zhuochen Jin Jingshun Yang Shuyuan Cui David Gotz Jimeng Sun Nan Cao 18 31 0 06 Nov 2018
Latent Molecular Optimization for Targeted Therapeutic Design Tristan Aumentado-Armstrong 13 41 0 05 Sep 2018
Relational dynamic memory networks Trang Pham T. Tran Svetha Venkatesh GNN 19 3 0 10 Aug 2018
Deep Learning in Pharmacogenomics: From Gene Regulation to Patient Stratification Alexandr A Kalinin Gerald A. Higgins Narathip Reamaroon S. M. Reza Soroushmehr Ari Allyn-Feuer I. Dinov Kayvan Najarian B. Athey OOD 30 122 0 25 Jan 2018
Graph Memory Networks for Molecular Activity Prediction Trang Pham T. Tran Svetha Venkatesh GNN 23 30 0 08 Jan 2018
Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks Marwin H. S. Segler T. Kogej C. Tyrchan M. Waller 17 96 0 05 Jan 2017
Low Data Drug Discovery with One-shot Learning Han Altae-Tran Bharath Ramsundar Aneesh S. Pappu Vijay S. Pande 21 676 0 10 Nov 2016
Personalized Prognostic Models for Oncology: A Machine Learning Approach D. Dooling Angela Kim B. McAneny J. Webster 36 3 0 22 Jun 2016
Molecular Graph Convolutions: Moving Beyond Fingerprints S. Kearnes Kevin McCloskey Marc Berndl Vijay S. Pande Patrick F. Riley GNN 50 1,435 0 02 Mar 2016
Fast and Accurate Deep Network Learning by Exponential Linear Units (ELUs) Djork-Arné Clevert Thomas Unterthiner Sepp Hochreiter 14 5,481 0 23 Nov 2015
AtomNet: A Deep Convolutional Neural Network for Bioactivity Prediction in Structure-based Drug Discovery Izhar Wallach Michael Dzamba Abraham Heifets 18 537 0 10 Oct 2015
Convolutional Networks on Graphs for Learning Molecular Fingerprints D. Duvenaud D. Maclaurin J. Aguilera-Iparraguirre Rafael Gómez-Bombarelli Timothy D. Hirzel Alán Aspuru-Guzik Ryan P. Adams GNN 22 3,326 0 30 Sep 2015
Improving neural networks by preventing co-adaptation of feature detectors Geoffrey E. Hinton Nitish Srivastava A. Krizhevsky Ilya Sutskever Ruslan Salakhutdinov VLM 266 7,634 0 03 Jul 2012