A New Estimation Method for the Biological Interaction Predicting Problems.

Abstract

For the past decades, computational methods have been developed to predict various interactions in biological problems. Usually these methods treated the predicting problems as semi-supervised problem or positive-unlabeled(PU) learning problem. Researchers focused on the prediction of unlabeled samples and hoped to find novel interactions in the datasets they collected. However, most of the computational methods could only predict a small proportion of undiscovered interactions and the total number was unknown. In this paper, we developed an estimation method with deep learning to calculate the number of undiscovered interactions in the unlabeled samples, derived its asymptotic interval estimation, and applied it to the compound synergism dataset, drug-target interaction(DTI) dataset and MicroRNA-disease interaction dataset successfully. Moreover, this method could reveal which dataset contained more undiscovered interactions and would be a guidance for the experimental validation. Furthermore, we compared our method with some mixture proportion estimators and demonstarted the efficacy of our method. Finally, we proved that AUC and AUPR were related with the number of undiscovered interactions, which was regarded as another evaluation indicator for the computational methods.