https://www.selleckchem.com/pr....oducts/hc-030031.htm
Predicting both accurate and reliable solubility values has long been a crucial but challenging task. In this work, surrogated model-based methods were developed to accurately predict the solubility of two molecules (solute and solvent) through machine learning and deep learning. The current study employed two methods (1) converting molecules into molecular fingerprints and adding optimal physicochemical properties as descriptors and (2) using graph convolutional network (GCN) models to convert molecules into a graph representation an
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