To Develop a Graph Neural Network (GNN) model for predicting the solubility of molecules using the ESOL dataset from the MoleculeNet benchmark. The GNN is trained on a set of molecules from the esol ...
Predicting the aqueous solubility of small organic molecules is a critical step in early-stage drug discovery, influencing a compound's absorption, distribution, metabolism, and excretion (ADME) ...
Protein solubility is significant in producing new soluble proteins that can reduce the cost of biocatalysts or therapeutic agents. Therefore, a computational model is highly desired to accurately ...
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