Prediction of organic compound aqueous solubility using machine learning: a comparison study of descriptor-based and fingerprints-based models

A reliable and practical determination of a chemical species’ solubility in water continues to be examined using empirical observations and exhaustive experimental studies alone. Predictions of chemical solubility in water using data-driven algorithms can allow us to create a rationally designed, ef...

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Detalles Bibliográficos
Autores principales: Tayyebi, Arash, Alshami, Ali S, Rabiei, Zeinab, Yu, Xue, Ismail, Nadhem, Talukder, Musabbir Jahan, Power, Jason
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10583449/
https://www.ncbi.nlm.nih.gov/pubmed/37853492
http://dx.doi.org/10.1186/s13321-023-00752-6

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10583449/
https://www.ncbi.nlm.nih.gov/pubmed/37853492
http://dx.doi.org/10.1186/s13321-023-00752-6

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