A program for terpenoid skeleton prediction based on botanical information

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Artigo
Data de publicação
2003
Periódico
Biochemical Systematics and Ecology
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8
Autores
Ferreira M.J.P.
Alvarenga S.A.V.
Macari P.A.T.
Rodrigues G.V.
Emerenciano V.P.
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This paper describes a new program developed to the SISTEMAT expert system, the SISOCBOT program. This program employs the botanical data analysis and predicts, at the end of analysis, the probable skeleton of a compound based on the input of family or genus names. The SISOCBOT program was tested with 78 samples involving 302 substances, pertaining to 38 carbon skeletons, and showed a high hit index on skeleton prediction, thus emphasizing the potential importance of these data for structural determination of natural products. © 2002 Elsevier Science Ltd. All rights reserved.
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