Combining biomedical knowledge graphs and text to improve predictions for drug-target interactions and drug-indications.

Journal: PeerJ
Published Date:

Abstract

Biomedical knowledge is represented in structured databases and published in biomedical literature, and different computational approaches have been developed to exploit each type of information in predictive models. However, the information in structured databases and literature is often complementary. We developed a machine learning method that combines information from literature and databases to predict drug targets and indications. To effectively utilize information in published literature, we integrate knowledge graphs and published literature using named entity recognition and normalization before applying a machine learning model that utilizes the combination of graph and literature. We then use supervised machine learning to show the effects of combining features from biomedical knowledge and published literature on the prediction of drug targets and drug indications. We demonstrate that our approach using datasets for drug-target interactions and drug indications is scalable to large graphs and can be used to improve the ranking of targets and indications by exploiting features from either structure or unstructured information alone.

Authors

  • Mona Alshahrani
    Computational Bioscience Research Center (CBRC), King Abdullah University of Science and Technology, 4700 KAUST, Thuwal, 23955-6900, Kingdom of Saudi Arabia.
  • Abdullah Almansour
    Department of Imaging Research, King Abdullah International Medical Research Center, Riyadh, Saudi Arabia.
  • Asma Alkhaldi
    National Center for Artificial Intelligence (NCAI), Saudi Data and Artificial Intelligence Authority (SDAIA), Riyadh, Saudi Arabia.
  • Maha A Thafar
    College of Computers and Information Technology, Taif University, Taif, Saudi Arabia.
  • Mahmut Uludag
    King Abdullah University of Science and Technology (KAUST), Computational Bioscience Research Center (CBRC), Thuwal, Saudi Arabia.
  • Magbubah Essack
    King Abdullah University of Science and Technology (KAUST), Computational Bioscience Research Center (CBRC), Thuwal, Saudi Arabia.
  • Robert Hoehndorf
    Computational Bioscience Research Center, King Abdullah University of Science and Technology, 4700 KAUST, Thuwal, 23955-6900, Saudi Arabia. robert.hoehndorf@kaust.edu.sa.