Prediction of the Aqueous Solubility of Compounds Based on Light Gradient Boosting Machines with Molecular Fingerprints and the Cuckoo Search Algorithm
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DOI: 10.1021/acsomega.2c03885
Abstract: 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… read more here.
Keywords: solubility compounds; prediction aqueous; solubility; light gradient ... See more keywords