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SIU: A Million-Scale Structural Small Molecule-Protein Interaction
  Dataset for Unbiased Bioactivity Prediction

SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction

13 June 2024
Yanwen Huang
Bowen Gao
Yinjun Jia
Hongbo Ma
Wei-Ying Ma
Ya-Qin Zhang
Yanyan Lan
ArXivPDFHTML

Papers citing "SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction"

1 / 1 papers shown
Title
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
242
1,780
0
02 Mar 2017
1