Abstract

BackgroundThe historical data of rare disease is very scarce in reality, so how to perform drug repositioning for the rare disease is a great challenge. Most existing methods of drug repositioning for the rare disease usually neglect father–son information, so it is extremely difficult to predict drugs for the rare disease.MethodIn this paper, we focus on father–son information mining for the rare disease. We propose GRU-Cooperation-Attention-Network (GCAN) to predict drugs for the rare disease. We construct two heterogeneous networks for information enhancement, one network contains the father-nodes of the rare disease and the other network contains the son-nodes information. To bridge two heterogeneous networks, we set a mapping to connect them. What’s more, we use the biased random walk mechanism to collect the information smoothly from two heterogeneous networks, and employ a cooperation attention mechanism to enhance repositioning ability of the network.ResultComparing with traditional methods, GCAN makes full use of father–son information. The experimental results on real drug data from hospitals show that GCAN outperforms state-of-the-art machine learning methods for drug repositioning.ConclusionThe performance of GCAN for drug repositioning is mainly limited by the insufficient scale and poor quality of the data. In future research work, we will focus on how to utilize more data such as drug molecule information and protein molecule information for the drug repositioning of the rare disease.

Highlights

  • The historical data of rare disease is very scarce in reality, so how to perform drug repositioning for the rare disease is a great challenge

  • The performance of GCAN for drug repositioning is mainly limited by the insufficient scale and poor quality of the data

  • To solve the problem of drug repositioning for rare diseases, we propose a new method named as GRUCooperation-Attention-Network (GCAN)

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Summary

Introduction

The historical data of rare disease is very scarce in reality, so how to perform drug repositioning for the rare disease is a great challenge. AutoDock [8], proposed by Morris in 2009, combines long experience freedom and lamarckian genetic algorithm for modeling, which makes full use of the information of protein’s molecular structure to predict the relationship between ligands and protein through genetic algorithm. AutoDock usually requires the detailed molecular information and three-dimensional structure of proteins, many existing rare disease-related proteins are not yet known, which limits the development of such methods for drug repositioning. Ligands similarity-based methods may leaks data information in the processing of predicting results, and the accuracy of the prediction model is far from the actual accuracy. Since this method has irreversible high-risk problems, ligands similarity-based methods are not suitable for rare diseases [9]

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