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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

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