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Automated Compatibility Tests of the Molecular Formulas or Structures of Organic Compounds with Their Mass Spectra.
Bernhard Seebass
Ernö Pretsch
Published in:
J. Chem. Inf. Comput. Sci. (1999)
Keyphrases
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molecular structure
mass spectra
mass spectrometry
drug discovery
chemical compounds
ovarian cancer
low cost
complex systems
machine learning
three dimensional
high accuracy
rough sets
data processing