35 citations · 35 across the 1 of their papers we have counts for
2 papers
q-bio.BM2020
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…