A program for terpenoid skeleton prediction based on botanical information

Artículos de revistas

Fecha

2003-01-01

Registro en:

Biochemical Systematics and Ecology, v. 31, n. 1, p. 25-43, 2003.

0305-1978

http://hdl.handle.net/11449/67153

10.1016/S0305-1978(02)00066-2

WOS:000180442500003

2-s2.0-0037235332

Autor

Universidade de São Paulo (USP)

Universidade Estadual Paulista (Unesp)

Universidade Mackenzie

Universidade Federal de Minas Gerais (UFMG)

Institución

Universidade Estadual Paulista (Brasil)

Resumen

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.

Materias

Botanical information

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