Building Machine Learning Small Molecule Melting Points and Solubility Models Using CCDC Melting Points Dataset
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DOI: 10.1021/acs.jcim.3c00308
Abstract: Predicting solubility of small molecules is a very difficult undertaking due to the lack of reliable and consistent experimental solubility data. It is well known that for a molecule in a crystal lattice to be… read more here.
Keywords: small molecule; solubility; ccdc melting; machine learning ... See more keywords