Predicting Drug-Target Interactions by Node2vec Node Embedding in Molecular Associations Network

Zhan Heng Chen, Zhu Hong You, Zhen Hao Guo, Hai Cheng Yi, Gong Xu Luo, Yan Bin Wang

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

6 Scopus citations

Abstract

Accurate identification of drug-target interactions (DTIs) is essential for drug development. It not only helps the researchers to understand the mechanism of drug action, but also contributes to the innovative drug discovery and repositioning. However, due to the limitation the high cost and long time, the traditional experimental methods are difficult to be widely applied for DTIs prediction. In this study, we propose an in silico method for predicting drug-target interactions by Node2vec node embedding in molecular associations network (MAN). Specifically, the MAN is constructed by integrating the associations among drug, protein, disease, lncRNA and miRNA. Then, the node2vec embedding method is employed to obtain a behavior feature vector of each node in the network. The traditional attribute feature vector comes from the drug molecular fingerprint and protein sequences. Finally, a random forest (RF) classifier is performed on these features to predict potential drug-target pairs. The experimental results show that the behavior feature could obtain 87.37% accuracy, which is obviously better than the traditional attribute feature. This work is not only more robust and reliable for predicting DTIs, but also provides an alternative way for other biomolecules associations prediction.

Original languageEnglish
Title of host publicationIntelligent Computing Theories and Application - 16th International Conference, ICIC 2020, Proceedings
EditorsDe-Shuang Huang, Kang-Hyun Jo
PublisherSpringer Science and Business Media Deutschland GmbH
Pages348-358
Number of pages11
ISBN (Print)9783030608019
DOIs
StatePublished - 2020
Externally publishedYes
Event16th International Conference on Intelligent Computing, ICIC 2020 - Bari , Italy
Duration: 2 Oct 20205 Oct 2020

Publication series

NameLecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
Volume12464 LNCS
ISSN (Print)0302-9743
ISSN (Electronic)1611-3349

Conference

Conference16th International Conference on Intelligent Computing, ICIC 2020
Country/TerritoryItaly
CityBari
Period2/10/205/10/20

Keywords

  • Drug-target interactions
  • Multi-molecular network
  • Node2vec

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