MONOREG - an expert system for structural elucidation of monoterpenes
作者： Marcelo J Ferreira , Gilberto V Rodrigues , Vicente P Emerenciano , None
DOI: 10.1139/V01-181
关键词:
摘要: This paper describes a new expert system denominated MONOREG for structural determination of monoterpenes. is composed five programs capable performing 13 C NMR spectra data analyses and systematic from living organisms. At the end this procedure, it shows likely skeletons compound in question as well substructures compatible with data. The was tested on skeleton elucidation 40 monoterpenes wide variety structure types exhibited excellent results prediction process.
nrcresearchpress.com参考文章(45)
Joshua Lederberg, E. A. Feigenbaum, Robert K. Lindsay, Bruce G. Buchanan, Applications of Artificial Intelligence for Organic Chemistry: The DENDRAL Project 0-07-037895-9. ,(1980)
Emma Maldonado, Ma. Apan, Ana Pérez-Castorena, Anti-inflammatory activity of phenyl propanoids from Coreopsis mutica var. mutica. Planta Medica. ,vol. 64, pp. 660- 661 ,(1998) , 10.1055/S-2006-957544
Masayuki YOSHIKAWA, Youichi FUKUDA, Toshio TANIYAMA, Isao KITAGAWA, Chemical Studies on Crude Drug Processing. IX. On the Constituents of Rehmanniae Radix. (3). Absolute Stereostructures of Rehmaionosides A, B, and C, and Rehmapicroside, Biologically Active Ionone Glucosides and a Monoterpene Glucoside Isolated from Chinese Rehmanniae Radix. Chemical & Pharmaceutical Bulletin. ,vol. 44, pp. 41- 47 ,(1996) , 10.1248/CPB.44.41
Gilberto do V. Rodrigues, Ivan P. de Arruda Campos, Vicente de P. Emerenciano, Applications of artificial intelligence to structure determination of organic compounds. XX. Determination of groups attached to the skeleton of natural products using 13 C nuclear magnetic resonance spectroscopy Spectroscopy. ,vol. 13, pp. 191- 200 ,(1997) , 10.1155/1997/657194
Martin Badertscher, Andrew Korytko, Klaus-Peter Schulz, Mark Madison, Morton E. Munk, Pius Portmann, Martin Junghans, Patrick Fontana, Ernö Pretsch, Assemble 2.0: a structure generator Chemometrics and Intelligent Laboratory Systems. ,vol. 51, pp. 73- 79 ,(2000) , 10.1016/S0169-7439(00)00056-3
Mitsuo Miyazawa, Yasuhiro Suzuki, Hiromu Kameoka, Biotransformation of (−)- and (+)-isopinocampheol by three fungi Phytochemistry. ,vol. 45, pp. 945- 950 ,(1997) , 10.1016/S0031-9422(97)00024-1
Marcelo JP Ferreira, Antônio JC Brant, Gilberto V Rodrigues, Vicente P Emerenciano, None, Automatic identification of terpenoid skeletons through 13C nuclear magnetic resonance data disfunctionalization Analytica Chimica Acta. ,vol. 429, pp. 151- 170 ,(2001) , 10.1016/S0003-2670(00)01268-X
Mitsuo Miyazawa, Masahiro Nobata, Mitsuro Hyakumachi, Hiromu Kameoka, Biotransformation of (+)- and (−)-camphorquinones to camphanediols by Glomerella cingulata Phytochemistry. ,vol. 44, pp. 79- 81 ,(1997) , 10.1016/S0031-9422(96)00516-X
Michel Carabedian, Jacques Emile Dubois, Inferring Extended Virtual Knowledge from an EPIOS Conversion Graph of Overlapping Substructures Journal of Chemical Information and Computer Sciences. ,vol. 34, pp. 701- 706 ,(1994) , 10.1021/CI00020A001
Masayuki YOSHIKAWA, Hiromi SHIMADA, Sugako HORIKAWA, Toshiyuki MURAKAMI, Hiroshi SHIMODA, Johji YAMAHARA, Hisashi MATSUDA, Bioactive Constituents of Chinese Natural Medicines. IV. Rhodiolae Radix. (2). : On the Histamine Release Inhibitors from the Underground Part of Rhodiola sacra (PRAIN ex HAMET) S. H. Fu (Crassulaceae) : Chemical Structures of Rhodiocyanoside D and Sacranosides A and B Chemical & Pharmaceutical Bulletin. ,vol. 45, pp. 1498- 1503 ,(1997) , 10.1248/CPB.45.1498