419 citations · 476 across the 5 of their papers we have counts for
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q-bio.BM2020★ 419 cited
Self-Supervised Graph Transformer on Large-Scale Molecular Data
Yu Rong, Yatao Bian, Tingyang Xu +4
How to obtain informative representations of molecules is a crucial prerequisite in AI-driven drug design and discovery. Recent researches abstract molecules as graphs and employ G…
q-bio.QM2020★ 35 cited
Multi-View Graph Neural Networks for Molecular Property Prediction
Hehuan Ma, Yatao Bian, Yu Rong +5
The crux of molecular property prediction is to generate meaningful representations of the molecules. One promising route is to exploit the molecular graph structure through Graph…