De novo Prediction of Drug-Target Interaction via Laplacian Regularized Schatten-p Norm Minimization

Abstract

The identification of drug-target interactions plays a crucial role in drug discovery and design. However, capturing interactions between drugs and targets via traditional biochemical experiments is an extremely laborious, expensive and time-consuming procedure. Therefore, the use of computational methods for predicting potential interactions to guide the experimental verification has attracted a lot of attention. In this paper, we propose a new algorithm, named Laplacian Regularized Schatten-p Norm Minimization (LRSpNM), to predict potential target proteins for novel drugs and potential drugs for new targets. First, we take advantage of the drug and target similarity information to dynamically prefill the partial unknown interactions. Then based on the assumption that the interaction matrix is low-rank, we use Schatten-p norm minimization model to improve prediction performance in the new drug/target cases by combining the loss function with a Laplacian regularization term. Finally, we numerically solve the LRSpNM model by an efficient alternating direction method of multipliers (ADMM) algorithm. Performance evaluations on benchmark datasets show that LRSpNM achieves better and more robust performance than five state-of-the-art drug-target interaction prediction algorithms. In addition, we conduct case study in practical applications, which also illustrates the effectiveness of our proposed method.