Revving up 13C NMR shielding predictions across chemical space: benchmarks for atoms-in-molecules kernel machine learning with new data for 134 kilo molecules. - Amit Gupta; Sabyasachi Chakraborty; Raghunathan Ramakrishnan (Mach. Learn. Sci. Technol., 2021)

Machine learning modeling of materials with a group-subgroup structure. - Prakriti Kayastha; Raghunathan Ramakrishnan (Mach. Learn. Sci. Technol., 2021)

Chemical space-informed machine learning models for rapid predictions of x-ray photoelectron spectra of organic molecules. - Susmita Tripathy; Surajit Das; Shweta Jindal; Raghunathan Ramakrishnan (Mach. Learn. Sci. Technol., 2024)