In 2016, we initiated a new project to develop a standardized procedure for in silico experts performing assessments, similar to in vitro or in vivo test guidelines. This would streamline the application of in silico methods, ensure best practices are adopted, and defend its use to colleagues, peers, and regulators.

The general framework paper1 was published in 2018, followed by a protocol for genetic toxicology2 in 2019, and a protocol for skin sensitization3 in 2020.

Since then, there has been considerable activity developing additional position papers and protocols, and much of this work is now included in a special issue of computational toxicology “In silico toxicology protocol initiative”4. The special issue includes 8 papers along with an editorial.

This body of work reflects an enormous effort on the part of the hundreds of collaborators on this project and will support the further acceptance and routine use of in silico methods at the same time as avoiding unnecessary animal studies.

We wish to thank all the collaborators and congratulate them on the completion of this special issue.

If you are interested in discussing this project in more detail, please contact me (Glenn Myatt;


  1. G.J. Myatt et al., In silico toxicology protocols, Regul. Toxicol. Pharmacol. 96 (2018) 1–17.
  2. C. Hasselgren et al., Genetic toxicology in silico protocol, Regul. Toxicol. Pharmacol. 107 (2019) 104403.
  3. C. Johnson et al., Skin sensitization in silico protocol, Regul. Toxicol. Pharmacol. 116 (2020) 104688.

Published by Glenn Myatt

Glenn J. Myatt is the co-founder of Leadscope and currently Senior Vice President, In Silico & Translational Science Solutions at Instem with over 30 years’ experience in computational chemistry/toxicology. He holds a Bachelor of Science degree in Computing, a Master of Science degree in Artificial Intelligence and a Ph.D. in Chemoinformatics. He has published 37 papers, 11 book chapters and three books.