Abstract
Background: Because it is so laborious and expensive to experimentally identify Drug-Target Interactions (DTIs), only a few DTIs have been verified. Computational methods are useful for identifying DTIs in biological studies of drug discovery and development. Results: For drug-target interaction prediction, we propose a novel neural network architecture, DAEi, extended from Denoising AutoEncoder (DAE). We assume that a set of verified DTIs is a corrupted version of the full interaction set. We use DAEi to learn latent features from corrupted DTIs to reconstruct the full input. Also, to better predict DTIs, we add some similarities to DAEi and adopt a new nonlinear method for calculation. Similarity information is very effective at improving the prediction of DTIs. Conclusion: Results of the extensive experiments we conducted on four real data sets show that our proposed methods are superior to other baseline approaches.Availability: All codes in this paper are open-sourced, and our projects are available at: https://github.com/XiuzeZhou/DAEi.
Toward Drug-Target Interaction Prediction via Ensemble Modeling and Transfer Learning
