Meeting Recording: In Silico Toxicology/Mechanistic and Discovery Toxicology speciality sections’ joint workshop

Notes from the recent In Silico Toxicology/Mechanistic and Discovery Toxicology speciality sections’ joint workshop: “hands-on modelling of safety data for non-experts”:

Following an introduction and welcome by Nic Coltman, and an overview of the fundamentals of modelling small molecules by Andreas Bender (data, descriptors, machine learning, etc.), two modelling exercises were undertaken: a “Regression approach to target prediction” (by Layla Hosseini-Gerami, AbsoluteAI/University of Cambridge), and a “Classification model for mitochondrial toxicity” (by Srijit Seal, University of Cambridge).

A recording of the workshop is available now via YouTube at this location:  – please feel free to share this with colleagues in your organization and networks.