Boosting the predictive performance with aqueous solubility dataset curation

Intrinsic solubility is a critical property in pharmaceutical industry that impacts in-vivo bioavailability of small molecule drugs. However, solubility prediction with Artificial Intelligence(AI) are facing insufficient data, poor data quality, and no unified measurements for AI and physics-based a...

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Detalles Bibliográficos
Autores principales: Meng, Jintao, Chen, Peng, Wahib, Mohamed, Yang, Mingjun, Zheng, Liangzhen, Wei, Yanjie, Feng, Shengzhong, Liu, Wei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Analysis
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8894363/
https://www.ncbi.nlm.nih.gov/pubmed/35241693
http://dx.doi.org/10.1038/s41597-022-01154-3

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8894363/
https://www.ncbi.nlm.nih.gov/pubmed/35241693
http://dx.doi.org/10.1038/s41597-022-01154-3

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