2 papers
q-bio.QM2023
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…
cs.LG2023
Developing novel ligands with enhanced binding affinity for the sphingosine 1-phosphate receptor 1 using machine learning
Colin Zhang, Yang Ha
Multiple sclerosis (MS) is a debilitating neurological disease affecting nearly one million people in the United States. Sphingosine-1-phosphate receptor 1, or S1PR1, is a protein…