Progress in Predicting Ames Test Outcomes from Chemical Structures: An In-Depth Re-Evaluation of Models from the 1st and 2nd Ames/QSAR International Challenge Projects

Progress in Predicting Ames Test Outcomes from Chemical Structures: An In-Depth Re-Evaluation of Models from the 1st and 2nd Ames/QSAR International Challenge Projects

The Ames/quantitative structure–activity relationship (QSAR) International Challenge Projects, held during 2014–2017 and 2020–2022, evaluated the performance of various predictive models. Despite the significant insights gained, the rules allowing participants to select prediction targets introduced...

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Bibliographic Details
Main Author: Yoshihiro Uesawa
Format: Article
Language:English
Published: MDPI AG 2024-01-01
Series:International Journal of Molecular Sciences
Subjects:
Ames test
quantitative structure–activity relationship
applicability domain
in silico study
machine learning
predictive performance
Online Access:https://www.mdpi.com/1422-0067/25/3/1373

Internet

https://www.mdpi.com/1422-0067/25/3/1373

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