ESSESA - AN EXPERT SYSTEM FOR STRUCTURE ELUCIDATION FROM SPECTRA .3. LNSCS FOR CHEMICAL KNOWLEDGE REPRESENTATION

LNSCS (Linear Notation System of Chemical Structures) is a support for chemical knowledge representation in the form of a linear unambiguous code for processing and manipulating chemical structure information. Based on principles of molecular graph theory, LNSCS can notate chemical structures using a very small number of natural rules and can be very easily used by chemistry LNSCS code is an unambiguous but not unique linear character string. By a transformation program it can be easily changed into a computer's internal code. LNSCS may be used as an interface between computer and user in chemical knowledge-based systems and chemical substructure search systems. It has now been adopted by ESSESA as a tool to exchange chemical structure information between system and user.