Advances in machine learning for directed evolution.

Journal: Current opinion in structural biology
Published Date:

Abstract

Machine learning (ML) can expedite directed evolution by allowing researchers to move expensive experimental screens in silico. Gathering sequence-function data for training ML models, however, can still be costly. In contrast, raw protein sequence data is widely available. Recent advances in ML approaches use protein sequences to augment limited sequence-function data for directed evolution. We highlight contributions in a growing effort to use sequences to reduce or eliminate the amount of sequence-function data needed for effective in silico screening. We also highlight approaches that use ML models trained on sequences to generate new functional sequence diversity, focusing on strategies that use these generative models to efficiently explore vast regions of protein space.

Authors

  • Bruce J Wittmann
    Division of Biology and Bioengineering, California Institute of Technology, Pasadena, CA 91125.
  • Kadina E Johnston
    Division of Biology and Biological Engineering, California Institute of Technology, MC 210-41, 1200 E. California Boulevard, Pasadena, CA 91125, USA.
  • Zachary Wu
    Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, CA, USA.
  • Frances H Arnold
    Division of Biology and Biological Engineering; California Institute of Technology; Pasadena, California; United States of America.