Progress and challenges for the machine learning-based design of fit-for-purpose monoclonal antibodies.

Journal: mAbs
PMID: 35293269

Abstract

Although the therapeutic efficacy and commercial success of monoclonal antibodies (mAbs) are tremendous, the design and discovery of new candidates remain a time and cost-intensive endeavor. In this regard, progress in the generation of data describing antigen binding and developability, computational methodology, and artificial intelligence may pave the way for a new era of on-demand immunotherapeutics design and discovery. Here, we argue that the main necessary machine learning (ML) components for an mAb sequence generator are: understanding of the rules of mAb-antigen binding, capacity to modularly combine mAb design parameters, and algorithms for unconstrained parameter-driven mAb sequence synthesis. We review the current progress toward the realization of these necessary components and discuss the challenges that must be overcome to allow the on-demand ML-based discovery and design of fit-for-purpose mAb therapeutic candidates.

Authors

  • Rahmad Akbar
    Department of Immunology, Oslo University Hospital, Oslo, Norway.
  • Habib Bashour
    School of Life Sciences, University of Warwick, Coventry, UK.
  • Puneet Rawat
    Protein Bioinformatics Lab, Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai 600036, Tamil Nadu, India.
  • Philippe A Robert
    Department of Immunology, Oslo University Hospital Rikshospitalet and University of Oslo, Norway.
  • Eva Smorodina
    Department of Immunology, Oslo University Hospital, Oslo, Norway.
  • Tudor-Stefan Cotet
    Department of Life Sciences, Imperial College London, UK.
  • Karine Flem-Karlsen
    Department of Immunology, University of Oslo and Oslo University Hospital, Oslo, Norway.
  • Robert Frank
    Department of Linguistics, Yale University, New Haven, CT.
  • Brij Bhushan Mehta
    Department of Immunology, Oslo University Hospital Rikshospitalet and University of Oslo, Norway.
  • Mai Ha Vu
    Department of Linguistics and Scandinavian Studies, University of Oslo, Norway.
  • Talip Zengin
    Department of Immunology, University of Oslo and Oslo University Hospital, Oslo, Norway.
  • Jose Gutierrez-Marcos
    School of Life Sciences, University of Warwick, Coventry, UK.
  • Fridtjof Lund-Johansen
    Department of Immunology, Oslo University Hospital Rikshospitalet and University of Oslo, Norway.
  • Jan Terje Andersen
    Department of Immunology, Oslo University Hospital Rikshospitalet and University of Oslo, Norway.
  • Victor Greiff
    Department of Immunology, Oslo University Hospital, Oslo, Norway.

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