A Versatile Expert System for Molecular Structure Elucidation from 1D and 2D NMR Data and Molecular Fragments.
Mikhail E. ElyashbergKirill A. BlinovAntony J. WilliamsSergey G. MolodtsovGary E. MartinEduard R. MartirosianPublished in: J. Chem. Inf. Model. (2004)
Keyphrases
- data sets
- expert systems
- molecular structure
- database
- image data
- training data
- data distribution
- data analysis
- data collection
- end users
- raw data
- spatial data
- synthetic data
- knowledge base
- small number
- probability distribution
- data sources
- data quality
- high quality
- original data
- expert knowledge
- discrete data
- data processing
- network structure
- computer systems
- xml documents
- artificial intelligence
- data structure
- three dimensional