no code implementations • 12 Oct 2023 • Yiqiang Yi, Xu Wan, Yatao Bian, Le Ou-Yang, Peilin Zhao
Predicting the docking between proteins and ligands is a crucial and challenging task for drug discovery.
no code implementations • 27 Oct 2022 • Yiqiang Yi, Xu Wan, Kangfei Zhao, Le Ou-Yang, Peilin Zhao
The proposed ELGN firstly adds a super node to the 3D complex, and then builds a line graph based on the 3D complex.
no code implementations • 27 Sep 2022 • Jiahan Liu, Chaochao Yan, Yang Yu, Chan Lu, Junzhou Huang, Le Ou-Yang, Peilin Zhao
In this paper, we propose a novel end-to-end graph generation model for retrosynthesis prediction, which sequentially identifies the reaction center, generates the synthons, and adds motifs to the synthons to generate reactants.
1 code implementation • 19 Jul 2020 • Sezin Kircali Ata, Min Wu, Yuan Fang, Le Ou-Yang, Chee Keong Kwoh, Xiao-Li Li
Thirdly, an empirical analysis is conducted to evaluate the performance of the selected methods across seven diseases.
1 code implementation • 31 Jan 2019 • Ming Zhang, Xuefei Zhe, Le Ou-Yang, Shifeng Chen, Hong Yan
Deep hashing models have been proposed as an efficient method for large-scale similarity search.
no code implementations • 21 Dec 2014 • Peng Yang, Xiaoquan Su, Le Ou-Yang, Hon-Nian Chua, Xiao-Li Li, Kang Ning
To obtain a comprehensive view, we propose a novel ensemble clustering framework to mine the structure of microbial community pattern on large-scale metagenomic data.