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Prediction of Multi-Pharmacokinetics Property in Multi-Species: Bayesian Neural Network Stacking Model with Uncertainty 期刊论文
MOLECULAR PHARMACEUTICS, 2024, 卷号: 21, 期号: 12
作者:  Zhang, Yuanyuan;  Xie, Zhiyin;  Xiao, Fu;  Yu, Jie;  Fan, Zhehuan
Adobe PDF(5565Kb)  |  收藏  |  浏览/下载：152/1  |  提交时间：2024/11/19
SurfDock is a surface-informed diffusion generative model for reliable and accurate protein-ligand complex prediction 期刊论文
NATURE METHODS, 2024
作者:  Cao, Duanhua;  Chen, Mingan;  Zhang, Runze;  Wang, Zhaokun;  Huang, Manlin
Adobe PDF(4291Kb)  |  收藏  |  浏览/下载：310/73  |  提交时间：2024/06/03
Fine-tuning large language models for chemical text mining 期刊论文
CHEMICAL SCIENCE, 2024, 卷号: 15, 期号: 27, 页码: 10600-10611
作者:  Zhang, Wei;  Wang, Qinggong;  Kong, Xiangtai;  Xiong, Jiacheng;  Ni, Shengkun
Adobe PDF(4746Kb)  |  收藏  |  浏览/下载：198/1  |  提交时间：2024/06/24
Fine-tuning ChatGPT Achieves State-of-the-Art Performance for Chemical Text Mining 预印本
2023
作者:  Zhang, Wei;  Wang, Qinggong;  Kong, Xiangtai;  Xiong, Jiacheng;  Ni, Shengkun
Adobe PDF(7104Kb)  |  收藏  |  浏览/下载：259/64  |  提交时间：2024/05/15
Transfer Learning Enhanced Graph Neural Network for Aldehyde Oxidase Metabolism Prediction and Its Experimental Application 预印本
2023
作者:  Xiong, Jiacheng;  Cui, Rongrong;  Li, Zhaojun;  Zhang, Wei;  Zhang, Runze
Adobe PDF(947Kb)  |  收藏  |  浏览/下载：179/0  |  提交时间：2024/01/09
MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules 期刊论文
JOURNAL OF CHEMINFORMATICS, 2023, 卷号: 15, 期号: 1
作者:  Liu, Xiaohong;  Zhang, Wei;  Tong, Xiaochu;  Zhong, Feisheng;  Li, Zhaojun
Adobe PDF(2616Kb)  |  收藏  |  浏览/下载：725/111  |  提交时间：2023/05/05
An inductive graph neural network model for compound-protein interaction prediction based on a homogeneous graph 期刊论文
BRIEFINGS IN BIOINFORMATICS, 2022, 卷号: 23, 期号: 3
作者:  Wan, Xiaozhe;  Wu, Xiaolong;  Wang, Dingyan;  Tan, Xiaoqin;  Liu, Xiaohong
Adobe PDF(1543Kb)  |  收藏  |  浏览/下载：336/0  |  提交时间：2022/11/08
Drug target inference by mining transcriptional data using a novel graph convolutional network framework 期刊论文
PROTEIN & CELL, 2022
作者:  Zhong, Feisheng;  Wu, Xiaolong;  Yang, Ruirui;  Li, Xutong;  Wang, Dingyan
Adobe PDF(3167Kb)  |  收藏  |  浏览/下载：446/0  |  提交时间：2021/11/05
Multi-instance learning of graph neural networks for aqueous pK(a) prediction 期刊论文
BIOINFORMATICS, 2022, 卷号: 38, 期号: 3
作者:  Xiong, Jiacheng;  Li, Zhaojun;  Wang, Guangchao;  Fu, Zunyun;  Zhong, Feisheng
Adobe PDF(633Kb)  |  收藏  |  浏览/下载：611/233  |  提交时间：2022/02/11
DrugSpaceX: a large screenable and synthetically tractable database extending drug space 期刊论文
NUCLEIC ACIDS RESEARCH, 2021, 卷号: 49, 期号: D1, 页码: #VALUE!
作者:  Yang, Tianbiao;  Li, Zhaojun;  Chen, Yingjia;  Feng, Dan;  Wang, Guangchao
Adobe PDF(2718Kb)  |  收藏  |  浏览/下载：327/0  |  提交时间：2021/04/01
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