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Application of an interpretable classification model on Early Folding Residues during protein folding.

Sebastian BittrichMarika KadenChristoph LeberechtFlorian KaiserThomas VillmannDirk Labudde
Published in: BioData mining (2019)
The application on EFR prediction demonstrates how an easy interpretation of classification models can promote the comprehension of biological mechanisms. The results shed light on the special features of EFR which were reported as most influential for the classification: EFR are embedded in ordered secondary structure elements and they participate in networks of hydrophobic residues. Visualization capabilities of GMLVQ are presented as we demonstrate how to interpret the results.
Keyphrases
  • deep learning
  • machine learning
  • single molecule
  • molecular dynamics simulations