Communities
Connect sessions
AI calendar
Organizations
Join Slack
Contact Sales
Search
Open menu
Home
Papers
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
Re-assign community
ArXiv (abs)
PDF
HTML
Papers citing
"Low Data Drug Discovery with One-shot Learning"
50 / 158 papers shown
Multi-View Graph Neural Networks for Molecular Property Prediction
Hehuan Ma
Yatao Bian
Yu Rong
Wenbing Huang
Qifeng Bai
Wei-yang Xie
Geyan Ye
Junzhou Huang
222
45
0
17 May 2020
An invertible crystallographic representation for general inverse design of inorganic crystals with targeted properties
Zekun Ren
S. Tian
Juhwan Noh
Felipe Oviedo
G. Xing
...
Qianxiao Li
Senthilnath Jayavelu
K. Hippalgaonkar
Yousung Jung
Tonio Buonassisi
AI4CE
357
174
0
15 May 2020
One-Shot Recognition of Manufacturing Defects in Steel Surfaces
Aditya M. Deshpande
A. Minai
Manish Kumar
153
63
0
12 May 2020
InteractionNet: Modeling and Explaining of Noncovalent Protein-Ligand Interactions with Noncovalent Graph Neural Network and Layer-Wise Relevance Propagation
Hyeoncheol Cho
E. Lee
I. Choi
GNN
FAtt
150
6
0
12 May 2020
Multi-View Self-Attention for Interpretable Drug-Target Interaction Prediction
Journal of Biomedical Informatics (JBI), 2020
Brighter Agyemang
Wei-Ping Wu
Michael Y. Kpiebaareh
Zhihua Lei
Ebenezer Nanor
Lei Chen
144
31
0
01 May 2020
Meta-Learning in Neural Networks: A Survey
IEEE Transactions on Pattern Analysis and Machine Intelligence (TPAMI), 2020
Timothy M. Hospedales
Antreas Antoniou
P. Micaelli
Amos Storkey
OOD
767
2,421
0
11 Apr 2020
Autonomous discovery in the chemical sciences part II: Outlook
Connor W. Coley
Natalie S. Eyke
K. Jensen
199
186
0
30 Mar 2020
Weighted Meta-Learning
Diana Cai
Rishit Sheth
Lester W. Mackey
Nicolò Fusi
196
12
0
20 Mar 2020
Meta-Learning GNN Initializations for Low-Resource Molecular Property Prediction
Cuong C. Nguyen
Constantine Kreatsoulas
K. Branson
AI4CE
192
14
0
12 Mar 2020
Assessing Graph-based Deep Learning Models for Predicting Flash Point
Molecular Informatics (Mol. Inf.), 2020
Xiaoyu Sun
Nathaniel J. Krakauer
A. Politowicz
Wei-Ting Chen
Qiying Li
...
Xianjia Shao
Alfred Sunaryo
Mingren Shen
James Wang
D. Morgan
121
26
0
26 Feb 2020
Structured Prediction for Conditional Meta-Learning
Ruohan Wang
Y. Demiris
C. Ciliberto
CLL
242
6
0
20 Feb 2020
Unraveling Meta-Learning: Understanding Feature Representations for Few-Shot Tasks
International Conference on Machine Learning (ICML), 2020
Micah Goldblum
Steven Reich
Liam H. Fowl
Renkun Ni
Valeriia Cherepanova
Tom Goldstein
SSL
OffRL
313
79
0
17 Feb 2020
Big-Data Science in Porous Materials: Materials Genomics and Machine Learning
Chemical Reviews (Chem. Rev.), 2020
Kevin Maik Jablonka
D. Ongari
S. M. Moosavi
B. Smit
AI4CE
279
415
0
18 Jan 2020
Geometric deep learning for computational mechanics Part I: Anisotropic Hyperelasticity
Computer Methods in Applied Mechanics and Engineering (CMAME), 2020
Nikolaos N. Vlassis
R. Ma
WaiChing Sun
AI4CE
143
197
0
08 Jan 2020
Drug-Target Indication Prediction by Integrating End-to-End Learning and Fingerprints
Brighter Agyemang
Wei-Ping Wu
Michael Y. Kpiebaareh
Ebenezer Nanor
161
3
0
03 Dec 2019
Investigating Active Learning and Meta-Learning for Iterative Peptide Design
Rainier Barrett
A. White
262
2
0
20 Nov 2019
SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery
Shion Honda
Shoi Shi
H. Ueda
MedIm
207
228
0
12 Nov 2019
Machine Learning for Scent: Learning Generalizable Perceptual Representations of Small Molecules
Benjamín Sánchez-Lengeling
Jennifer N. Wei
Brian K. Lee
R. C. Gerkin
Alán Aspuru-Guzik
Alexander B. Wiltschko
GNN
162
100
0
23 Oct 2019
Machine Learning and Big Scientific Data
Tony (Anthony) John Grenville Hey
K. Butler
Sam Jackson
Jeyarajan Thiyagalingam
AI4CE
171
85
0
12 Oct 2019
Combining docking pose rank and structure with deep learning improves protein-ligand binding mode prediction
Journal of Chemical Information and Modeling (JCIM), 2019
Joseph A. Morrone
Matteo Terreran
T. Huynh
Heng Luo
Wendy D. Cornell
113
78
0
07 Oct 2019
Sparse hierarchical representation learning on molecular graphs
M. Bal
Hagen Triendl
Mariana Assmann
M. Craig
Lawrence Phillips
J. Frost
Usman Bashir
Noor Shaker
V. Stojevic
GNN
107
1
0
06 Aug 2019
Fast Haar Transforms for Graph Neural Networks
Neural Networks (NN), 2019
Ming Li
Zheng Ma
Yu Guang Wang
Xiaosheng Zhuang
171
77
0
10 Jul 2019
Molecular activity prediction using graph convolutional deep neural network considering distance on a molecular graph
Masahito Ohue
Ryota
Keisuke Yanagisawa
Y. Akiyama
GNN
116
4
0
02 Jul 2019
SMILES-X: autonomous molecular compounds characterization for small datasets without descriptors
G. Lambard
Ekaterina Gracheva
185
24
0
20 Jun 2019
HalalNet: A Deep Neural Network that Classifies the Halalness Slaughtered Chicken from their Images
International Journal of Integrated Engineering (IJIE), 2019
A. Elfakharany
Rubiyah Yusof
N. Ismail
Reza Arfa
M. R. Yunus
64
3
0
10 Jun 2019
MR-GNN: Multi-Resolution and Dual Graph Neural Network for Predicting Structured Entity Interactions
International Joint Conference on Artificial Intelligence (IJCAI), 2019
Nuo Xu
Peijie Wang
Long Chen
Jing Tao
Junzhou Zhao
GNN
140
114
0
23 May 2019
Graph Attribute Aggregation Network with Progressive Margin Folding
Penghui Sun
J. Qu
Xiaoqing Lyu
Haibin Ling
Zhi Tang
GNN
111
4
0
14 May 2019
Relational Graph Attention Networks
Dan Busbridge
Dane Sherburn
Pietro Cavallo
Nils Y. Hammerla
GNN
134
217
0
11 Apr 2019
Generalizing from a Few Examples: A Survey on Few-Shot Learning
Yaqing Wang
Quanming Yao
James T. Kwok
L. Ni
558
2,008
0
10 Apr 2019
Relational Pooling for Graph Representations
R. Murphy
Ninad Kulkarni
Vinayak A. Rao
Bruno Ribeiro
GNN
418
280
0
06 Mar 2019
Graph Dynamical Networks for Unsupervised Learning of Atomic Scale Dynamics in Materials
T. Xie
A. France-Lanord
Yanming Wang
Y. Shao-horn
Jeffrey C. Grossman
AI4CE
150
120
0
18 Feb 2019
Bayesian semi-supervised learning for uncertainty-calibrated prediction of molecular properties and active learning
Yao Zhang
A. Lee
117
116
0
03 Feb 2019
Drug cell line interaction prediction
Pengfei Liu
172
127
0
28 Dec 2018
Synergy Effect between Convolutional Neural Networks and the Multiplicity of SMILES for Improvement of Molecular Prediction
Talia B. Kimber
Sebastian Engelke
Igor V. Tetko
Eric Bruno
Guillaume Godin
149
39
0
11 Dec 2018
KekuleScope: prediction of cancer cell line sensitivity and compound potency using convolutional neural networks trained on compound images
Journal of Cheminformatics (J Cheminform), 2018
I. Cortés-Ciriano
A. Bender
MedIm
255
53
0
22 Nov 2018
MT-CGCNN: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Prediction
Soumya Sanyal
J. Balachandran
N. Yadati
Abhishek Kumar
Padmini Rajagopalan
Suchismita Sanyal
Partha P. Talukdar
203
55
0
14 Nov 2018
Deep Confidence: A Computationally Efficient Framework for Calculating Reliable Errors for Deep Neural Networks
Journal of Chemical Information and Modeling (JCIM), 2018
I. Cortés-Ciriano
A. Bender
OOD
UQCV
170
62
0
24 Sep 2018
Deep learning for in vitro prediction of pharmaceutical formulations
Yilong Yang
Zhuyifan Ye
Yan Su
Qianqian Zhao
Xiaoshan Li
D. Ouyang
OOD
92
136
0
06 Sep 2018
Small Sample Learning in Big Data Era
Jun Shu
Zongben Xu
Deyu Meng
355
77
0
14 Aug 2018
PADME: A Deep Learning-based Framework for Drug-Target Interaction Prediction
Qingyuan Feng
Evgenia V. Dueva
Artem Cherkasov
Martin Ester
234
97
0
25 Jul 2018
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules
Shengchao Liu
M. F. Demirel
Yingyu Liang
GNN
NAI
187
220
0
24 Jun 2018
Dynamic Spectrum Matching with One-shot Learning
Jinchao Liu
S. Gibson
James Mills
Margarita Osadchy
91
43
0
23 Jun 2018
Meta-learning with differentiable closed-form solvers
Luca Bertinetto
João F. Henriques
Juil Sock
Andrea Vedaldi
ODL
455
1,024
0
21 May 2018
Bioinformatics and Medicine in the Era of Deep Learning
The European Symposium on Artificial Neural Networks (ESANN), 2018
D. Bacciu
P. Lisboa
José D. Martín
R. Stoean
A. Vellido
AI4CE
BDL
163
17
0
27 Feb 2018
Edge Attention-based Multi-Relational Graph Convolutional Networks
Chao Shang
Qinqing Liu
Ko-Shin Chen
Jiangwen Sun
Jin Lu
Jinfeng Yi
J. Bi
GNN
289
95
0
14 Feb 2018
Molecular Structure Extraction From Documents Using Deep Learning
Joshua Staker
Kyle Marshall
Robert Abel
Carolyn McQuaw
127
79
0
14 Feb 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
414
134
0
25 Jan 2018
Adaptive Graph Convolutional Neural Networks
Ruoyu Li
Sheng Wang
Feiyun Zhu
Junzhou Huang
GNN
308
831
0
10 Jan 2018
A trans-disciplinary review of deep learning research for water resources scientists
Chaopeng Shen
AI4CE
491
832
0
06 Dec 2017
Deep Reinforcement Learning for De-Novo Drug Design
Mariya Popova
Olexandr Isayev
Alexander Tropsha
275
1,148
0
29 Nov 2017
Previous
1
2
3
4
Next
Page 3 of 4
