"Revving up 13C NMR shielding predictions across chemical space: benchmarks ..."

Amit Gupta, Sabyasachi Chakraborty, Raghunathan Ramakrishnan (2021)

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DOI: 10.1088/2632-2153/ABE347

access: open

type: Journal Article

metadata version: 2023-08-28

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Amit Gupta, Sabyasachi Chakraborty, Raghunathan Ramakrishnan:
Revving up 13C NMR shielding predictions across chemical space: benchmarks for atoms-in-molecules kernel machine learning with new data for 134 kilo molecules. Mach. Learn. Sci. Technol. 2(3): 35010 (2021)

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