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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...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| 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 |