The Tox24 challenge is designed to assess the state of the art in computational methods for predicting in vitro activity of compounds. The chemicals and compounds have been tested for activity against transthyretin (TTR) – an important end point in identifying endocrine disrupting chemicals (EDCs) – by the US Environmental Protection Agency (EPA). Due to the limited amount of data on binding activities of compounds with TTR, only a few computational studies have been reported in the literature thus far. The diverse set of 1512 chemicals screened by the EPA lays the foundation for the creation of computational models that can be applied to a much larger chemical space, thereby addressing this gap in the literature.
All experts in the ML field are strongly encouraged to participate and compete for a prize of 1000€, to be awarded to the developers of the winning model (see https://ochem.eu/static/challenge.do for more details). The Tox24 challenge is co-organised by ICANN2024 (https://e-nns.org/icann2024), MSC ITN AIDD (https://ai-dd.eu/), MSC DN AiChemist (https://aichemist.eu/) and ChemResTox (https://pubs.acs.org/journal/crtoec) journal.
Submission deadline is August 31.