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1611.03199
Cited By
Low Data Drug Discovery with One-shot Learning
10 November 2016
Han Altae-Tran
Bharath Ramsundar
Aneesh S. Pappu
Vijay S. Pande
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Papers citing
"Low Data Drug Discovery with One-shot Learning"
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Learning Graph-Level Representation for Drug Discovery
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Deng Cai
Xiaofei He
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12 Sep 2017
ChemGAN challenge for drug discovery: can AI reproduce natural chemical diversity?
Mostapha Benhenda
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260
105
0
28 Aug 2017
Learning Graph While Training: An Evolving Graph Convolutional Neural Network
Ruoyu Li
Junzhou Huang
GNN
223
8
0
10 Aug 2017
Retrosynthetic reaction prediction using neural sequence-to-sequence models
ACS Central Science (ACS Cent. Sci.), 2017
Bowen Liu
Bharath Ramsundar
Prasad Kawthekar
Jade Shi
Joseph Gomes
Quang Luu Nguyen
Stephen Ho
Jack L. Sloane
P. Wender
Vijay S. Pande
199
459
0
06 Jun 2017
Atomic Convolutional Networks for Predicting Protein-Ligand Binding Affinity
Joseph Gomes
Bharath Ramsundar
Evan N. Feinberg
Vijay S. Pande
159
202
0
30 Mar 2017
SMILES Enumeration as Data Augmentation for Neural Network Modeling of Molecules
E. Bjerrum
214
324
0
21 Mar 2017
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
1.1K
2,200
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
236
98
0
05 Jan 2017
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