Application of a New Program, H1MACH, for Prediction of Iridoid Skeletons

@article{Ferreira2004ApplicationOA,
  title={Application of a New Program, H1MACH, for Prediction of Iridoid Skeletons},
  author={Marcelo Jos{\'e} Pena Ferreira and Mara B. Costantin and Gilberto V. Rodrigues and Vicente de Paulo Emerenciano},
  journal={Spectroscopy Letters},
  year={2004},
  volume={37},
  pages={587 - 605}
}
Abstract A procedure is presented that utilizes 1H NMR for prediction of the skeleton of iridoids. A new program was developed, named H1MACH, that presents a database with 800 data points from the 1H NMR spectra of iridoids. This program was widely tested for the prediction of the skeleton of 40 compounds and compared with other programs in the expert system SISTEMAT. The results obtained show that H1MACH is very useful for the prediction of the skeleton of iridoids, especially for the iridane… Expand
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