文献类型：期刊文献

英文题名：NetInfer: A Web Server for Prediction of Targets and Therapeutic and Adverse Effects via Network-Based Inference Methods

作者：Wu, Zengrui[1];Peng, Yayuan[1];Yu, Zhuohang[1];Li, Weihua[1];Liu, Guixia[1];Tang, Yun[1]

机构：[1]East China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab New Drug Design, Shanghai 200237, Peoples R China

年份：2020

卷号：60

期号：8

起止页码：3687

外文期刊名：JOURNAL OF CHEMICAL INFORMATION AND MODELING

收录：;EI(收录号：20203909218272);WOS:【SCI-EXPANDED(收录号:WOS:000563791600001)】；

基金：This work was supported by the National Key Research and Development Program of China (Grant 2016YFA0502304), the National Natural Science Foundation of China (Grants 81673356 and 81872800), the Shanghai Post-doctoral Excellence Program (Grant 2018199), the Shanghai Sailing Program (Grant 19YF1412700), the China Postdoctoral Science Foundation (Grant 2019M661413), and the 111 Project (Grant BP0719034).

语种：英文

外文关键词：Codes (symbols) - Web services - Proteins

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.