Data for: A machine learning approach to discriminate MR1 binders: the importance of the phenol and carbonyl fragments

Abstract

A machine learning approach to discriminate MR1 binders: the importance of the phenol and carbonyl fragmentsAn excel file includes descriptor table, the 2D images of the entire dataset, name of the descriptors, descriptor importance suggested by the models, details of the LR model, and model performance metrics are provided as Supplementary Material.THIS DATASET IS ARCHIVED AT DANS/EASY, BUT NOT ACCESSIBLE HERE. TO VIEW A LIST OF FILES AND ACCESS THE FILES IN THIS DATASET CLICK ON THE DOI-LINK ABOV