ProQ3D: improved model quality assessments using deep learning.

Journal: Bioinformatics (Oxford, England)
Published Date:

Abstract

SUMMARY: Protein quality assessment is a long-standing problem in bioinformatics. For more than a decade we have developed state-of-art predictors by carefully selecting and optimising inputs to a machine learning method. The correlation has increased from 0.60 in ProQ to 0.81 in ProQ2 and 0.85 in ProQ3 mainly by adding a large set of carefully tuned descriptions of a protein. Here, we show that a substantial improvement can be obtained using exactly the same inputs as in ProQ2 or ProQ3 but replacing the support vector machine by a deep neural network. This improves the Pearson correlation to 0.90 (0.85 using ProQ2 input features).

Authors

  • Karolis Uziela
    Department of Biochemistry and Biophysics and Science for Life Laboratory, Stockholm University, Solna, Sweden.
  • David Menéndez Hurtado
    Department of Biochemistry and Biophysics and Science for Life Laboratory, Stockholm University, Solna, Sweden.
  • Nanjiang Shu
    Department of Biochemistry and Biophysics and Science for Life Laboratory, Stockholm University, Solna, Sweden.
  • Björn Wallner
    Division of Bioinformatics, Department of Physics, Chemistry and Biology, Linköping University, Linköping, Sweden.
  • Arne Elofsson
    Science for Life Laboratory and Department of Biochemistry and Biophysics, Stockholm University, Stockholm 10691, Sweden arne@bioinfo.se debbie@hms.harvard.edu cccsander@gmail.com.