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maomlab/MutagenLou2023

Mutagenicity Optimization (MutagenLou2023) In the original paper, they collected the Ames records from Hansen’s benchmark (6512 compounds) and the ISSSTY database (6052 compounds). After data preparation, a total of 8576 compounds with structural diversity were obtained, including 4643 Ames positives and 3933 Ames negatives. The comprehensive data set was then split into a training set including 7720 compounds and a test set containing 856 compounds. Overall, the numbers of… See the full description on the dataset page: https://huggingface.co/datasets/maomlab/MutagenLou2023.

Author / organizationmaomlab
License (as declared)cc-by-4.0
Downloads128 (as reported by Hugging Face)
Likes0
Created4 March 2024
Last updated at source19 May 2025
chemistrycheminformatics
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