Prediction of Potential Commercially Available Inhibitors against SARS-CoV-2 by Multi-Task Deep Learning Model.

ABSTRACT: The outbreak of COVID-19 caused millions of deaths worldwide, and the number of total infections is still rising. It is necessary to identify some potentially effective drugs that can be used to prevent the development of severe symptoms, or even death for those infected. Fortunately, many efforts have been made and several effective drugs have been identified. The rapidly increasing amount of data is of great help for training an effective and specific deep learning model. In this study, we propose a multi-task deep learning model for the purpose of screening commercially available and effective inhibitors against SARS-CoV-2. First, we pretrained a model on several heterogenous protein-ligand interaction datasets. The model achieved competitive results on some benchmark datasets. Next, a

SUBMITTER: Hu F 

PROVIDER: S-EPMC9405964 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature