NMR Spectrum similarity search witn SWI-Prolog in Bioclipse

With the SWI-Prolog (currently in experimental stage, and available from GitHub) plugin Prolog programs can be accessed inside Bioclipse’s scripting environment for querying and other processing of RDF triples.

The prolog code in this Bioclipse script performs a simple spectrum similarity search based on a list of peak shift values, for which it tries to find spectra that contain peaks values close to those values, within a certian limit (<0.3 ppm in this case).

The data which is used is data RDF:ized by Egon Willighagen (and available in Bio2RDF), from the NMRShiftDB.