Three-dimensional knowledge representation using extended structure graph grammars

M.Sc. (Computer Science)The purpose of this disssertation is to study methods to represent structures in three-dimensions. Due to the fact that chemical molecules are mostly complex three-dimensional structures, we used chemical molecules as our application domain. A literature study of current chemical information systems was undertaken. The whole spectrum of information systems was covered because almost all of these systems represent chemical molecules in one way or another. Various methods of three-dimensional structure representation were found in our literature study. All of these methods were discussed in the context of its own application domain. Structure graph grammars were examined and explained in detail. A small object-based system with structure graph grammars as the underlying principle was developed. We speculated on the use of such "intelligent" graph grammars in structure interpretation and identification. Further research in this area was also identified