Drug repositioning in drug discovery of T2DM and repositioning potential of antidiabetic agents

por Zhu, Sha, Bai, Qifeng, Li, Lanqing, Xu, Tingyang
Publicado 2022

Hybrid-DCA: A double asynchronous approach for stochastic dual coordinate ascent

por Pal, Soumitra, Xu, Tingyang, Yang, Tianbao, Rajasekaran, Sanguthevar, Bi, Jinbo
Publicado 2020

MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm

por Bai, Qifeng, Tan, Shuoyan, Xu, Tingyang, Liu, Huanxiang, Huang, Junzhou, Yao, Xiaojun
Publicado 2020

Drug repurposing against breast cancer by integrating drug-exposure expression profiles and drug–drug links based on graph neural network

por Cui, Chen, Ding, Xiaoyu, Wang, Dingyan, Chen, Lifan, Xiao, Fu, Xu, Tingyang, Zheng, Mingyue, Luo, Xiaomin, Jiang, Hualiang, Chen, Kaixian
Publicado 2021

WADDAICA: A webserver for aiding protein drug design by artificial intelligence and classical algorithm

por Bai, Qifeng, Ma, Jian, Liu, Shuo, Xu, Tingyang, Banegas-Luna, Antonio Jesús, Pérez-Sánchez, Horacio, Tian, Yanan, Huang, Junzhou, Liu, Huanxiang, Yao, Xiaojun
Publicado 2021

A Novel Scalarized Scaffold Hopping Algorithm with Graph-Based Variational Autoencoder for Discovery of JAK1 Inhibitors

por Yu, Yang, Xu, Tingyang, Li, Jiawen, Qiu, Yaping, Rong, Yu, Gong, Zhen, Cheng, Xuemin, Dong, Liming, Liu, Wei, Li, Jin, Dou, Dengfeng, Huang, Junzhou
Publicado 2021

Multi-instance learning of graph neural networks for aqueous pK(a) prediction

por Xiong, Jiacheng, Li, Zhaojun, Wang, Guangchao, Fu, Zunyun, Zhong, Feisheng, Xu, Tingyang, Liu, Xiaomeng, Huang, Ziming, Liu, Xiaohong, Chen, Kaixian, Jiang, Hualiang, Zheng, Mingyue
Publicado 2021

Blood–brain barrier penetration prediction enhanced by uncertainty estimation

por Tong, Xiaochu, Wang, Dingyan, Ding, Xiaoyu, Tan, Xiaoqin, Ren, Qun, Chen, Geng, Rong, Yu, Xu, Tingyang, Huang, Junzhou, Jiang, Hualiang, Zheng, Mingyue, Li, Xutong
Publicado 2022