Dear
Colleagues, We have recently started a Tox24 challenge
(1), which is designed to assess the progress in computational methods for
predicting in vitro activity of compounds. The
chemicals and compounds being tested for activity against transthyretin (TTR) by
EPA are used as training and test sets (2). All experts in machine learning and
computational chemistry are strongly encouraged to participate. Participants
will be competing for a prize of 1000€, to be awarded to the developers
of the winning model. You can find the full description, rules and timeline at
https://ochem.eu/static/challenge.do. Briefly:
1012 and 200 compounds in training and leaderboard sets are available to the
participants (leaderboard set will be released on August 15th) to develop
models. The winning model will be determined after September 1st using a test
set of 300 compounds. Predictions can be submitted
on-line or by e-mail. Final model submitted by each team before the deadline
will be used to determine a winner. Data are available in the pre-print (2) or
can be downloaded from the Challenge web site. We
are looking forward to seeing your models! Submit by August
31. Best regards, Igor
Tetko Coordinator: AIDD ITN:
https://ai-dd.eu AiChemist DN: https://aichemist.eu OCHEM: https://ochem.eu ; Helmholtz
Munich Institute of Structural Biology Ingolstädter
Landstr. 1, 85764 Neuherberg You can
also see this announcement at LinkedIn, BlueSky and
Twitter: It would be great if you can re-send this information
to your colleagues/students, who could be interested in this challenge. Thank
you! References: [1]
Tetko, I.V. Tox24 Chalenge, Chem. Res. Tox., https://pubs.acs.org/doi/10.1021/acs.chemrestox.4c00192 [2] Eytcheson,
S. A.; Zosel, A. D.; Olker, J. H.; Hornung, M. W.; Degitz, S. J. Screening the
ToxCast Chemical Libraries for Binding to Transthyretin. ChemRxiv , May 8, 2024.
DOI: 10.26434/chemrxiv-2024-pwgq6
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