no code implementations • 27 Sep 2018 • Nicholas Roberts, Poornav S. Purushothama, Vishal T. Vasudevan, Siddarth Ravichandran, Chen Zhang, William H. Gerwick, Garrison W. Cottrell
Computing a similarity score between 2D NMR spectra for a novel compound and a compound whose structure is known helps determine the structure of the novel compound.
