Tuesday, January 8, 2008
NMR-Spectral Data and InChIKeys
Within my ongoing project to create a portal for existing NMR-spectral data, another set of some 90,000 structures has been made available to me. They will be processed within the next 2 weeks and my collection of links will be updated accordingly. Afterwards more than 500,000 spectra from some 400,000 different structures will be available. Feel free to generate requests automatically using utilities like 'curl' or 'wget'. Please be so kind and restrict requests to less than 100 per day !