Link Prediction in Multi-layer Networks and Its Application to Drug Design

  • Maksim KoptelovEmail author
  • Albrecht Zimmermann
  • Bruno Crémilleux
Conference paper
Part of the Lecture Notes in Computer Science book series (LNCS, volume 11191)


Search of valid drug candidates for a given target is a vital part of modern drug discovery. Since the problem was established, a number of approaches have been proposed that augment interaction networks with, typically, two compound/target similarity networks. In this work we propose a method capable of using an arbitrary number of similarity or interaction networks. We adapt an existing method for random walks on heterogeneous networks and show that adding additional networks improves prediction quality.


Chemoinformatics Link prediction Multi-layer graphs 


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© Springer Nature Switzerland AG 2018

Authors and Affiliations

  1. 1.Normandie Univ, UNICAEN, ENSICAEN, CNRS - UMR GREYCCaenFrance

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