arrow
返回

Deep-Learning-Based Drug-Target Interaction Prediction

delete2017-03-13
delete400
PRE
AI
M
Ming Wen
Z
Zhimin Zhang
S
Shaoyu Niu
H
Haozhi Sha
R
Ruihan Yang
云永欢 封面图
云永欢 (Yong‐Huan Yun)
卢红梅 封面图
卢红梅 (Hongmei Lü) *
DOI:10.1021/acs.jproteome.6b00618delete
delete原文链接
delete原文求助
delete分享
delete收藏
摘要

摘要

En 中文
Identifying interactions between known drugs and targets is a major challenge in drug repositioning. In silico prediction of drug target interaction (DTI) can speed up the expensive and time-consuming-experimental work by providing the most potent DTIs. In silico prediction of DTI can-also provide insights about the potential drug drug interaction and promote the exploration of drug side effects. Traditionally, the performance of DTI prediction depends heavily on the descriptors used to represent the drugs and the target proteins. In this paper, to accurately predict new DTIs between approved drugs and targets without separating the targets into different classes, we developed a deep-learning-based algorithmic framework named DeepDTIs. It first abstracts representations from raw input descriptors using unsupervised pretraining and then applies known label pairs of interaction to build a classification model. Compared with other methods, it is found that DeepDTIs reaches or outperforms other state-of-the-art methods. The DeepDTIs can be further used to predict whether a new drug targets to some existing targets or whether a new target interacts with some existing drugs.
Keyword:
deep learning
deep-delief network
feature extraction
drug-target interaction prediction
semisupervised learning
AI总结

AI总结

对已上传原文的论文进行重点信息的提取,主要内容包括:简要概述、研究摘要、背景介绍、关键亮点、图文解析、展望与总结。

期刊

Journal of Proteome Research 封面图
Journal of Proteome Research
IF:
3.6
论文数:
9.4K
被引数:
2.3W

机构

C
Central South University
学者数:
10.0W
论文数: 7.2W
被引数: 10.9W
C
Chinese Academy of Tropical Agricultural Sciences
学者数:
5.5K
论文数: 3.0K
被引数: 4.7K
引用论文

引用论文

The use of the mini-mental status examination in the ED evaluation of the elderly
err1998-11-01
err0
PREAI
errLaura Dziedzic; William J Brady; Richard Lindsay; J.Stephen Huff
err分享
err收藏
Two-qubit symmetric informationally complete positive-operator-valued measures
err2010-10-11
err0
errOAAI
errHuangjun Zhu; Yong Siah Teo; Berthold-Georg Englert
err分享
err收藏
Structural Determinants of the Supramolecular Organization of G Protein-Coupled Receptors in Bilayers
err2012-06-25
err198
errOAAI
errPeriole, Xavier; Knepp, Adam M.; Sakmar, Thomas P.; Marrink, Siewert J.; Huber, Thomas
err分享
err收藏
MIND-BEST: Web Server for Drugs and Target Discovery; Design, Synthesis, and Assay of MAO-B Inhibitors and Theoretical-Experimental Study of G3PDH Protein from Trichomonas gallinae
err2011-04-01
err84
PREAI
errGonzalez-Diaz, Humberto; Prado-Prado, Francisco; Garcia-Mera, Xerardo; Alonso, Nerea; Abeijon, Paula; Caamano, Olga; Yanez, Matilde; Munteanu, Cristian R.; Pazos, Alejandro; Auxiliadora Dea-Ayuela, Maria; Teresa Gomez-Munoz, Maria; Magdalena Garijo, M.; Sansano, Jose; Ubeira, Florencio M.
err分享
err收藏
Large-scale prediction of drug-target interactions using protein sequences and drug topological structures
err2012-11-01
err100
PREAI
errCao, Dong-Sheng; Liu, Shao; Xu, Qing-Song; Lu, Hong-Mei; Huang, Jian-Hua; Hu, Qian-Nan; Liang, Yi-Zeng
err分享
err收藏
Improving Protein Fold Recognition by Deep Learning Networks
err2015-12-04
err94
errOAAI
errJo, Taeho; Hou, Jie; Eickholt, Jesse; Cheng, Jianlin
err分享
err收藏
学者 查看更多内容