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

Journal of Chemical Information and Modeling
Zengrui WuYun Tang

Abstract

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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