Deep active learning with high structural discriminability for molecular mutagenicity prediction
Author:
Funder
National Natural Science Foundation of China
National Key R&D Program of China
Science and Technology Commission of Shanghai Municipality
Development Fund for Shanghai Talents
Publisher
Springer Science and Business Media LLC
Link
https://www.nature.com/articles/s42003-024-06758-6.pdf
Reference49 articles.
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2. Mortelmans, K. & Zeiger, E. The Ames Salmonella/microsome mutagenicity assay. Mutat. Res. 455, 29–60 (2000).
3. Kramer, J. A., Sagartz, J. E. & Morris, D. L. The application of discovery toxicology and pathology towards the design of safer pharmaceutical lead candidates. Nat. Rev. Drug Discov. 6, 636–649 (2007).
4. Kumar, A., Dobrovolsky, V. N., Dhawan, A. & Shanker, R. Mutagenicity: Assays and Applications. (Academic Press, 2017).
5. Townsend, P. A. & Grayson, M. N. Density functional theory in the prediction of mutagenicity: a perspective. Chem. Res. Toxicol. 34, 179–188 (2020).
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