127 citations · 242 across the 9 of their papers we have counts for
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q-bio.QM2021
Relational graph convolutional networks for predicting blood-brain barrier penetration of drug molecules
Yan Ding, Xiaoqian Jiang, Yejin Kim
Evaluating the blood-brain barrier (BBB) permeability of drug molecules is a critical step in brain drug development. Traditional methods for the evaluation require complicated in…
q-bio.QM2020★ 73 cited
Drug repurposing for COVID-19 using graph neural network and harmonizing multiple evidence
Kanglin Hsieh, Yinyin Wang, Luyao Chen +5
Amid the pandemic of 2019 novel coronavirus disease (COVID-19) infected by SARS-CoV-2, a vast amount of drug research for prevention and treatment has been quickly conducted, but t…