most citedPredicting Drug Solubility Using Different Machine Learning Methods -- Linear Regression Model with Extracted Chemical Features vs Graph Convolutional Neural Network

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Predicting Drug Solubility Using Different Machine Learning Methods -- Linear Regression Model with Extracted Chemical Features vs Graph Convolutional Neural Network

John Ho, Zhao-Heng Yin, Colin Zhang +2

Predicting the solubility of given molecules remains crucial in the pharmaceutical industry. In this study, we revisited this extensively studied topic, leveraging the capabilities…