Modeling Industrial ADMET Data with Multitask Networks

28 June 2016

Papers citing "Modeling Industrial ADMET Data with Multitask Networks"

6 / 6 papers shown

Title
Efficient Toxicity Prediction via Simple Features Using Shallow Neural Networks and Decision Trees Abdul Karim Avinash Mishra M. A. Hakim Newton A. Sattar 18 55 0 26 Jan 2019
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules Shengchao Liu M. F. Demirel Yingyu Liang GNN NAI 13 192 0 24 Jun 2018
Chemi-net: a graph convolutional network for accurate drug property prediction Ke Liu Xiangyan Sun Lei Jia Jun Ma Haoming Xing Junqiu Wu Hua Gao Yax Sun Florian Boulnois Jie Fan MedIm GNN 9 140 0 16 Mar 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 36 122 0 25 Jan 2018
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 257 1,787 0 02 Mar 2017
Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks Marwin H. S. Segler T. Kogej C. Tyrchan M. Waller 30 96 0 05 Jan 2017