A program for terpenoid skeleton prediction based on botanical information

  title={A program for terpenoid skeleton prediction based on botanical information},
  author={Marcelo Jos{\'e} Pena Ferreira and Sandra A. V. Alvarenga and Patr{\'i}cia A. T. Macari and Gilberto V. Rodrigues and Vicente de Paulo Emerenciano},
  journal={Biochemical Systematics and Ecology},
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… Expand

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