HEPHESTUS: An expert system in PROLOG for the interpretation of pyrolysis mass spectra of polyesters, polyethers and polyureas

Georgakopoulos, CG; Statheropoulos, M; Kontoyannakos, J; Parissakis, G

dc.contributor.author	Georgakopoulos, CG	en
dc.contributor.author	Statheropoulos, M	en
dc.contributor.author	Kontoyannakos, J	en
dc.contributor.author	Parissakis, G	en
dc.date.accessioned	2014-03-01T01:09:25Z
dc.date.available	2014-03-01T01:09:25Z
dc.date.issued	1993	en
dc.identifier.issn	0169-7439	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/10970
dc.subject.classification	Automation & Control Systems	en
dc.subject.classification	Chemistry, Analytical	en
dc.subject.classification	Computer Science, Artificial Intelligence	en
dc.subject.classification	Instruments & Instrumentation	en
dc.subject.classification	Mathematics, Interdisciplinary Applications	en
dc.subject.classification	Statistics & Probability	en
dc.subject.other	polyester	en
dc.subject.other	polyether	en
dc.subject.other	polyurea	en
dc.subject.other	unclassified drug	en
dc.subject.other	article	en
dc.subject.other	mass spectrometry	en
dc.subject.other	priority journal	en
dc.subject.other	pyrolysis	en
dc.title	HEPHESTUS: An expert system in PROLOG for the interpretation of pyrolysis mass spectra of polyesters, polyethers and polyureas	en
heal.type	journalArticle	en
heal.identifier.primary	10.1016/0169-7439(93)80084-U	en
heal.identifier.secondary	http://dx.doi.org/10.1016/0169-7439(93)80084-U	en
heal.language	English	en
heal.publicationDate	1993	en
heal.abstract	The construction of an expert system (ES), called HEPHESTUS, was implemented in a PROLOG environment, for the interpretation of pyrolysis mass spectra (PyMS) of three categories of polymers: polyesters, polyethers and polyureas. The ES can be applied in electron ionization, chemical ionization and desorption chemical ionization PyMS spectra. The knowledge of the domain is organized in the form of rules that relate polymer structures with mass spectra characteristics. This methodology uses mainly the following type of information: presence of repeating units, cyclic oligomers, mass markers, mass fragments and various mass series. The IF part of the rules tests for matching the information extracted from the unknown PyMS spectra with those of the knowledge base. The knowledge base is organized as dendrite, i.e. the polymer structures are organized hierarchically as a tree. Examples of the interpretation rules used are described together with examples of searching and reasoning. The system was evaluated for both spectra that belong to the above three categories and for other spectra. The ability of the system to interpret PyMS spectra of the three categories of polymers is demonstrated and discussed.	en
heal.publisher	ELSEVIER SCIENCE BV	en
heal.journalName	Chemometrics and Intelligent Laboratory Systems	en
dc.identifier.doi	10.1016/0169-7439(93)80084-U	en
dc.identifier.isi	ISI:A1993LD75800007	en
dc.identifier.volume	19	en
dc.identifier.issue	1	en
dc.identifier.spage	75	en
dc.identifier.epage	85	en