Computer-Assisted Approach to Structural Elucidation of Lignans

@article{Costantin2008ComputerAssistedAT,
  title={Computer-Assisted Approach to Structural Elucidation of Lignans},
  author={Mara B. Costantin and Marcelo Jos{\'e} Pena Ferreira and Gilberto V. Rodrigues and Vicente de Paulo Emerenciano},
  journal={Spectroscopy Letters},
  year={2008},
  volume={41},
  pages={405 - 421}
}
ABSTRACT This paper reports an expert system (SISTEMAT) developed for structural determination of diverse chemical classes of natural products, including lignans, based mainly on 13C NMR and 1H NMR data of these compounds. The system is composed of five programs that analyze specific data of a lignan and shows a skeleton probability for the compound. At the end of analyses, the results are grouped, the global probability is computed, and the most probable skeleton is exhibited to the user… Expand
Computer-aided Structure Elucidation of Neolignans
TLDR
A new module of the expert system SISTEMAT used for the prediction of the skeletons of neolignans by 13C NMR, 1H NMR and botanical data obtained from the literature is described, demonstrating its advantage for the structural elucidation of new compounds. Expand
New Improvements in Automatic Structure Elucidation Using the LSD (Logic for Structure Determination) and the SISTEMAT Expert Systems
This article describes the integration of the LSD (Logic for Structure Determination) and SISTEMAT expert systems that were both designed for the computer-assisted structure elucidation of smallExpand

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