Bridging experiment and theory: a template for unifying NMR data and electronic structure calculations.
David M. L. BrownHerman ChoWibe A. de JongPublished in: J. Cheminformatics (2016)
Keyphrases
- data analysis
- data sets
- statistical analysis
- complex structures
- database
- data quality
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- data processing
- data collection
- high quality
- data points
- image data
- data mining techniques
- input data
- missing data
- experimental data
- prior knowledge
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- small number
- training data
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- feature selection