Skin sensitization in silico protocol

Candice Johnson, Ernst Ahlberg, Lennart T. Anger, Lisa Beilke, Romualdo Benigni, Joel Bercu, Sol Bobst, David Bower, Alessandro Brigo, Sarah Campbell, Mark T.D. Cronin, Ian Crooks, Kevin P. Cross, Tatyana Doktorova, Thomas Exner, David Faulkner, Ian M. Fearon, Markus Fehr, Shayne C. Gad, Véronique GervaisAmanda Giddings, Susanne Glowienke, Barry Hardy, Catrin Hasselgren, Jedd Hillegass, Robert Jolly, Eckart Krupp, Liat Lomnitski, Jason Magby, Jordi Mestres, Lawrence Milchak, Scott Miller, Wolfgang Muster, Louise Neilson, Rahul Parakhia, Alexis Parenty, Patricia Parris, Alexandre Paulino, Ana Theresa Paulino, David W. Roberts, Harald Schlecker, Reinhard Stidl, Diana Suarez-Rodrigez, David T. Szabo, Raymond R. Tice, Daniel Urbisch, Anna Vuorinen, Brian Wall, Thibaud Weiler, Angela T. White, Jessica Whritenour, Joerg Wichard, David Woolley, Craig Zwickl, Glenn J. Myatt

Research output: Contribution to journalArticlepeer-review

24 Scopus citations


The assessment of skin sensitization has evolved over the past few years to include in vitro assessments of key events along the adverse outcome pathway and opportunistically capitalize on the strengths of in silico methods to support a weight of evidence assessment without conducting a test in animals. While in silico methods vary greatly in their purpose and format; there is a need to standardize the underlying principles on which such models are developed and to make transparent the implications for the uncertainty in the overall assessment. In this contribution, the relationship between skin sensitization relevant effects, mechanisms, and endpoints are built into a hazard assessment framework. Based on the relevance of the mechanisms and effects as well as the strengths and limitations of the experimental systems used to identify them, rules and principles are defined for deriving skin sensitization in silico assessments. Further, the assignments of reliability and confidence scores that reflect the overall strength of the assessment are discussed. This skin sensitization protocol supports the implementation and acceptance of in silico approaches for the prediction of skin sensitization.

Original languageEnglish
Article number104688
JournalRegulatory Toxicology and Pharmacology
StatePublished - Oct 2020
Externally publishedYes

Bibliographical note

Publisher Copyright:
© 2020 The Author(s)


  • (Q)SAR
  • Computational toxicology
  • Computational toxicology protocols
  • Defined approach
  • Expert alerts
  • Expert review
  • Extractables and leachables
  • In silico
  • In silico toxicology
  • Integrated approaches to testing and assessment (IATA)
  • Skin sensitization


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