INFERRING EXTENDED VIRTUAL KNOWLEDGE FROM AN EPIOS CONVERSION GRAPH OF OVERLAPPING SUBSTRUCTURES

In the EPIOS system, the elucidation strategy is guided by the progres sive intersection of ordered substructures. Pairs combining substructu ral and spectral information are extracted from a suitable DARC-C-13-N MR databank. They constitute the basic units for the overlapping proce ss and presence it from a blind combinatorial matching used to build a molecule and/or its spectra. Enriched knowledge, needed by the system to define a larger solution space, is achieved by investigating the t opological relations governing the substructural overlapping. A compar ison of the experimental space and its virtual extension through these topological relations is presented.