Web服务器
推论
计算机科学
Web应用程序
药物发现
数据挖掘
机器学习
生物信息学
人工智能
互联网
万维网
生物
作者
Zengrui Wu,Yayuan Peng,Zhuohang Yu,Weihua Li,Guixia Liu,Yun Tang
标识
DOI:10.1021/acs.jcim.0c00291
摘要
In this study, we developed a web server named NetInfer for prediction of targets and therapeutic and adverse effects via network-based inference methods. Compared with our previously developed standalone version of NetInfer, this web server provides a user-friendly interface. With the web server, users can easily predict potential target proteins, microRNAs, Anatomical Therapeutic Chemical (ATC) classification codes, or adverse drug events for small molecules of their interests in a few steps. Most of the prediction models were constructed on the basis of our previous studies, where those models have been evaluated systematically and demonstrated high performance. The high-quality models can generate accurate predictions. As a case study, we predicted ATC codes and target proteins for several drugs. The predicted therapeutic effects of these drugs on cardiovascular diseases and their potential molecular mechanisms were validated by the literature. This successful case study demonstrated that our web server would be a powerful tool in drug repositioning and systems pharmacology. The web server of NetInfer is freely available at http://lmmd.ecust.edu.cn/netinfer/.
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