Chemical rules for optimization of chemical mutagenicity via matched molecular pairs analysis and machine learning methods

Chemical mutagenicity is a serious issue that needs to be addressed in early drug discovery. Over a long period of time, medicinal chemists have manually summarized a series of empirical rules for the optimization of chemical mutagenicity. However, given the rising amount of data, it is getting more...

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Detalles Bibliográficos
Autores principales: Lou, Chaofeng, Yang, Hongbin, Deng, Hua, Huang, Mengting, Li, Weihua, Liu, Guixia, Lee, Philip W., Tang, Yun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10029263/
https://www.ncbi.nlm.nih.gov/pubmed/36941726
http://dx.doi.org/10.1186/s13321-023-00707-x

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10029263/
https://www.ncbi.nlm.nih.gov/pubmed/36941726
http://dx.doi.org/10.1186/s13321-023-00707-x

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