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Predicting Drug Solubility Using Different Machine Learning Methods -- Linear Regression Model with Extracted Chemical Features vs Graph Convolutional Neural Network
Predicting the solubility of given molecules remains crucial in the pharmaceutical industry.
Developing novel ligands with enhanced binding affinity for the sphingosine 1-phosphate receptor 1 using machine learning
Sphingosine-1-phosphate receptor 1, or S1PR1, is a protein target for MS. Siponimod, a ligand of S1PR1, was approved by the FDA in 2019 for MS treatment, but there is a demonstrated need for better therapies.
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