Evaluation of Deep Learning Architectures for Aqueous Solubility Prediction

[Image: see text] Determining the aqueous solubility of molecules is a vital step in many pharmaceutical, environmental, and energy storage applications. Despite efforts made over decades, there are still challenges associated with developing a solubility prediction model with satisfactory accuracy...

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Detalles Bibliográficos
Autores principales: Panapitiya, Gihan, Girard, Michael, Hollas, Aaron, Sepulveda, Jonathan, Murugesan, Vijayakumar, Wang, Wei, Saldanha, Emily
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9096921/
https://www.ncbi.nlm.nih.gov/pubmed/35571767
http://dx.doi.org/10.1021/acsomega.2c00642

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9096921/
https://www.ncbi.nlm.nih.gov/pubmed/35571767
http://dx.doi.org/10.1021/acsomega.2c00642

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