Fragment-pair based drug molecule solubility prediction through attention mechanism

The purpose of drug discovery is to identify new drugs, and the solubility of drug molecules is an important physicochemical property in medicinal chemistry, that plays a crucial role in drug discovery. In solubility prediction, high-precision computational methods can significantly reduce the exper...

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Detalles Bibliográficos
Autores principales: Liu, Jianping, Lei, Xiujuan, Ji, Chunyan, Pan, Yi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2023
Materias:
Pharmacology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10595153/
https://www.ncbi.nlm.nih.gov/pubmed/37881183
http://dx.doi.org/10.3389/fphar.2023.1255181

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10595153/
https://www.ncbi.nlm.nih.gov/pubmed/37881183
http://dx.doi.org/10.3389/fphar.2023.1255181

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