From chemical shift data through prediction to assignment and NMR LIMS - multiple functionalities of nmrshiftdb2.
Stefan KuhnNils E. SchlörerHeinz KolshornRaphael StollPublished in: J. Cheminformatics (2012)
Keyphrases
- data collection
- data sets
- data analysis
- databases
- correlation analysis
- original data
- raw data
- data distribution
- missing data
- statistical analysis
- database
- high dimensional data
- synthetic data
- image data
- data points
- multiple sources
- xml documents
- data processing
- input data
- data mining techniques
- prediction accuracy
- probability distribution
- prior knowledge
- data quality
- predictive model