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wSDTNBI: a novel network-based inference method for virtual screening

Zengrui Wu, Hui Ma, Zehui Liu, Lulu Zheng, Zhuohang Yu, Shuying Cao, Wenqing Fang, Lili Wu, Weihua Li, Guixia Liu, Jin Huang, Yun Tang

2021Chemical Science41 citationsDOIOpen Access PDF

Abstract

experiments demonstrated that ursonic acid and oleanonic acid have therapeutic effects on multiple sclerosis. These results indicate that wSDTNBI might be a powerful tool for network-based VS in drug discovery.

Topics & Concepts

InferenceNatDrug discoveryVirtual screeningComputational biologyComputer scienceData miningArtificial intelligenceBioinformaticsBiologyComputer networkComputational Drug Discovery MethodsReceptor Mechanisms and SignalingRetinoids in leukemia and cellular processes
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