Multi-order graph attention network for water solubility prediction and interpretation

The water solubility of molecules is one of the most important properties in various chemical and medical research fields. Recently, machine learning-based methods for predicting molecular properties, including water solubility, have been extensively studied due to the advantage of effectively reduc...

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Detalles Bibliográficos
Autores principales: Lee, Sangho, Park, Hyunwoo, Choi, Chihyeon, Kim, Wonjoon, Kim, Ki Kang, Han, Young-Kyu, Kang, Joohoon, Kang, Chang-Jong, Son, Youngdoo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9981901/
https://www.ncbi.nlm.nih.gov/pubmed/36864064
http://dx.doi.org/10.1038/s41598-022-25701-5

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9981901/
https://www.ncbi.nlm.nih.gov/pubmed/36864064
http://dx.doi.org/10.1038/s41598-022-25701-5

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