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1812.00265
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Discovering Molecular Functional Groups Using Graph Convolutional Neural Networks
1 December 2018
Phillip E. Pope
Soheil Kolouri
Mohammad Rostami
Charles E. Martin
Heiko Hoffmann
GNN
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Papers citing
"Discovering Molecular Functional Groups Using Graph Convolutional Neural Networks"
4 / 4 papers shown
Title
Motif-aware Attribute Masking for Molecular Graph Pre-training
Eric Inae
Gang Liu
Meng-Long Jiang
AI4CE
40
14
0
08 Sep 2023
TCR: A Transformer Based Deep Network for Predicting Cancer Drugs Response
Jie Gao
Jing Hu
Wan-Na Sun
Yili Shen
Xiaonan Zhang
Xiaomin Fang
Fan Wang
Guo-Guo Zhao
MedIm
16
2
0
10 Jul 2022
Can Graph Neural Networks Count Substructures?
Zhengdao Chen
Lei Chen
Soledad Villar
Joan Bruna
GNN
39
319
0
10 Feb 2020
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
166
1,775
0
02 Mar 2017
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