Multitype Perception Method for Drug-Target Interaction Prediction

IEEE/ACM Trans Comput Biol Bioinform. 2023 Nov-Dec;20(6):3489-3498. doi: 10.1109/TCBB.2023.3285042. Epub 2023 Dec 25.

Abstract

With the growing popularity of artificial intelligence in drug discovery, many deep-learning technologies have been used to automatically predict unknown drug-target interactions (DTIs). A unique challenge in using these technologies to predict DTI is fully exploiting the knowledge diversity across different interaction types, such as drug-drug, drug-target, drug-enzyme, drug-path, and drug-structure types. Unfortunately, existing methods tend to learn the specifical knowledge on each interaction type and they usually ignore the knowledge diversity across different interaction types. Therefore, we propose a multitype perception method (MPM) for DTI prediction by exploiting knowledge diversity across different link types. The method consists of two main components: a type perceptor and a multitype predictor. The type perceptor learns distinguished edge representations by retaining the specifical features across different interaction types; this maximizes the prediction performance for each interaction type. The multitype predictor calculates the type similarity between the type perceptor and predicted interactions, and the domain gate module is reconstructed to assign an adaptive weight to each type perceptor. Extensive experiments demonstrate that our proposed MPM outperforms the state-of-the-art methods in DTI prediction.

MeSH terms

  • Artificial Intelligence*
  • Drug Development*
  • Drug Discovery / methods
  • Drug Interactions
  • Perception