Prediction of the Aqueous Solubility of Compounds Based on Light Gradient Boosting Machines with Molecular Fingerprints and the Cuckoo Search Algorithm

[Image: see text] Aqueous solubility is one of the most important physicochemical properties in drug discovery. At present, the prediction of aqueous solubility of compounds is still a challenging problem. Machine learning has shown great potential in solubility prediction. Most machine learning mod...

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Detalles Bibliográficos
Autores principales: Li, Mengshan, Chen, Huijie, Zhang, Hang, Zeng, Ming, Chen, Bingsheng, Guan, Lixin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9685740/
https://www.ncbi.nlm.nih.gov/pubmed/36440111
http://dx.doi.org/10.1021/acsomega.2c03885

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9685740/
https://www.ncbi.nlm.nih.gov/pubmed/36440111
http://dx.doi.org/10.1021/acsomega.2c03885

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