DeepPep: Deep proteome inference from peptide profiles

PLoS Comput Biol. 2017 Sep 5;13(9):e1005661. doi: 10.1371/journal.pcbi.1005661. eCollection 2017 Sep.

Abstract

Protein inference, the identification of the protein set that is the origin of a given peptide profile, is a fundamental challenge in proteomics. We present DeepPep, a deep-convolutional neural network framework that predicts the protein set from a proteomics mixture, given the sequence universe of possible proteins and a target peptide profile. In its core, DeepPep quantifies the change in probabilistic score of peptide-spectrum matches in the presence or absence of a specific protein, hence selecting as candidate proteins with the largest impact to the peptide profile. Application of the method across datasets argues for its competitive predictive ability (AUC of 0.80±0.18, AUPR of 0.84±0.28) in inferring proteins without need of peptide detectability on which the most competitive methods rely. We find that the convolutional neural network architecture outperforms the traditional artificial neural network architectures without convolution layers in protein inference. We expect that similar deep learning architectures that allow learning nonlinear patterns can be further extended to problems in metagenome profiling and cell type inference. The source code of DeepPep and the benchmark datasets used in this study are available at https://deeppep.github.io/DeepPep/.

MeSH terms

  • Algorithms
  • Animals
  • Area Under Curve
  • Databases, Protein
  • Drosophila melanogaster
  • Humans
  • Neural Networks, Computer
  • Peptides / analysis*
  • Peptides / chemistry*
  • Proteome / analysis*
  • Proteome / chemistry*
  • Proteomics / methods*

Substances

  • Peptides
  • Proteome

Grants and funding

This work was supported by a grant (to IT) from Mars, Inc. (www.mars.com) and National Science Foundation (www.nsf.gov) awards 1254205 and 1516695 (to IT). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.