In silico models are computational tools that use chemical structure, biological data, and mechanistic knowledge to predict potential toxic effects. They can be used to rapidly assess large numbers of chemicals, integrate diverse data streams, and provide mechanistic insight that strengthens hazard assessments, thereby providing human-relevant information.
This webinar series, co-organised by PETA Science Consortium International and the Institute for In Vitro Sciences, offered an “In Silico 101” style of presentations and case examples designed to provide participants with foundational knowledge needed to interpret and apply computational workflows in modern toxicology. Webinars will focus on seven in silico approaches that are commonly used for chemical hazard characterisation and risk assessment: 1) quantitative structure-activity relationship (QSAR); 2) read-across; 3) physiologically-based pharmacokinetic (PBPK) modeling; 4) in vitro to in vivo extrapolation (IVIVE); 5) quantitative adverse outcome pathway (qAOP); 6) molecular modeling; and 7) machine/deep learning and artificial intelligence (AI).
Webinar 1: Computational tools for chemical hazard characterisation
10 December 2025
Brad Reisfeld, Inotiv; Victoria Hull, Inotiv
Webinar 2: Applications and Case Studies: Part I
17 December 2025
Aswani Unnikrishnan, Inotiv; Xiaoqing Chang, Inotiv
Webinar 3: Applications and Case Studies: Part II
18 December 2025
Bridgett Hill, Inotiv; Brad Reisfeld, Inotiv; Bryant Chambers, Inotiv
The recordings, slides, and in silico resources can be found on the PETA Science Consortium Website.