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Enhancing Model Learning and Interpretation Using Multiple Molecular
  Graph Representations for Compound Property and Activity Prediction

Enhancing Model Learning and Interpretation Using Multiple Molecular Graph Representations for Compound Property and Activity Prediction

13 April 2023
Apakorn Kengkanna
Masahito Ohue
    AI4CE
ArXivPDFHTML

Papers citing "Enhancing Model Learning and Interpretation Using Multiple Molecular Graph Representations for Compound Property and Activity Prediction"

2 / 2 papers shown
Title
Junction Tree Variational Autoencoder for Molecular Graph Generation
Junction Tree Variational Autoencoder for Molecular Graph Generation
Wengong Jin
Regina Barzilay
Tommi Jaakkola
242
1,340
0
12 Feb 2018
MoleculeNet: A Benchmark for Molecular Machine Learning
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
260
1,789
0
02 Mar 2017
1