Package: wnpp Severity: wishlist lsd finds chemical structure from NMR data Licence: GPL about lsd: http://www.univ-reims.fr/Labos/UPRESA6013/GNOSIE/LSD/index.html download lsd: http://www.univ-reims.fr/Labos/UPRESA6013/GNOSIE/LSD/LSD-3.1.6.tar.gz
The aim of the LSD program is to find all possible molecular structures of an organic compound that are compatible with its spectroscopic data. Structure building relies on connectivity data found in 2D NMR spectra, without any reference to a chemical shift database. Molecular structures containing up to 50 non-hydrogen atoms were investigated by means of the LSD program.
