Guidance for good practice in the application of machine learning in development of toxicological quantitative structure-activity relationships (QSARs)

• Samuel J. Belfield ,

  Contributed equally to this work with: Samuel J. Belfield, Mark T.D. Cronin, Steven J. Enoch, James W. Firman

  Roles Conceptualization, Data curation, Investigation, Methodology, Visualization, Writing – original draft

  Affiliation School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Liverpool, United Kingdom

  https://orcid.org/0000-0002-6532-2532

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• Mark T.D. Cronin ,

  Contributed equally to this work with: Samuel J. Belfield, Mark T.D. Cronin, Steven J. Enoch, James W. Firman

  Roles Conceptualization, Visualization, Writing – original draft, Writing – review & editing

  Affiliation School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Liverpool, United Kingdom

  ⨯
• Steven J. Enoch ,

  Contributed equally to this work with: Samuel J. Belfield, Mark T.D. Cronin, Steven J. Enoch, James W. Firman

  Roles Writing – review & editing

  Affiliation School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Liverpool, United Kingdom

  ⨯
• James W. Firman

  Contributed equally to this work with: Samuel J. Belfield, Mark T.D. Cronin, Steven J. Enoch, James W. Firman

  Roles Conceptualization, Data curation, Methodology, Writing – review & editing

  * E-mail: j.w.firman@ljmu.ac.uk

  Affiliation School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Liverpool, United Kingdom

  https://orcid.org/0000-0003-0319-1407

  ⨯