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Deep Learning Based Regression and Multi-class Models for Acute Oral
  Toxicity Prediction with Automatic Chemical Feature Extraction
v1v2v3 (latest)

Deep Learning Based Regression and Multi-class Models for Acute Oral Toxicity Prediction with Automatic Chemical Feature Extraction

16 April 2017
Youjun Xu
Jianfeng Pei
L. Lai
ArXiv (abs)PDFHTML

Papers citing "Deep Learning Based Regression and Multi-class Models for Acute Oral Toxicity Prediction with Automatic Chemical Feature Extraction"

4 / 4 papers shown
Title
An overview of gradient descent optimization algorithms
An overview of gradient descent optimization algorithms
Sebastian Ruder
ODL
215
6,211
0
15 Sep 2016
Molecular Graph Convolutions: Moving Beyond Fingerprints
Molecular Graph Convolutions: Moving Beyond Fingerprints
S. Kearnes
Kevin McCloskey
Marc Berndl
Vijay S. Pande
Patrick F. Riley
GNN
171
1,449
0
02 Mar 2016
Convolutional Networks on Graphs for Learning Molecular Fingerprints
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
239
3,356
0
30 Sep 2015
Adam: A Method for Stochastic Optimization
Adam: A Method for Stochastic Optimization
Diederik P. Kingma
Jimmy Ba
ODL
2.2K
150,433
0
22 Dec 2014
1