https://www.selleckchem.com/pr....oducts/(-)-Epigalloc
Solvation free energy is a fundamental property that influences various chemical and biological processes, such as reaction rates, protein folding, drug binding, and bioavailability of drugs. In this work, we present a deep learning method based on graph networks to accurately predict solvation free energies of small organic molecules. The proposed model, comprising three phases, namely, message passing, interaction, and prediction, is able to predict solvation free energies in any generic organic solvent with a mea
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