Diterpene Structure Elucidation from 13CNMR Spectra with Inductive Logic Programming

  title={Diterpene Structure Elucidation from 13CNMR Spectra with Inductive Logic Programming},
  author={Saso Dzeroski and Steffen Schulze-Kremer and Karsten R. Heidtke and Karsten Siems and Dietrich Wettschereck and Hendrik Blockeel},
  journal={Applied Artificial Intelligence},
We present a novel application of Inductive Logic Programming (ILP) to the problem of diterpene structure elucidation from 1 3C NMR spectra. Diterpenes are organic compounds of low molecular weight with a skeleton of 20 carbon atoms. They are of signiŽcant chemical and commercial interest because of their use as lead compounds in the search for new pharmaceutical e€ ectors. The interpretation of diterpene 1 3C NMR spectra normally requires specialists with detailed spectroscopic knowledge and… CONTINUE READING
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