Automated molecular mechanics parameterization with simultaneous utilization of experimental and quantum mechanical data.
Per-Ola NorrbyTommy LiljeforsPublished in: J. Comput. Chem. (1998)
Keyphrases
- small number
- data sets
- raw data
- high quality
- synthetic data
- statistical analysis
- data collection
- experimental data
- image data
- input data
- data mining techniques
- complex data
- statistical methods
- data processing
- three dimensional
- database
- data points
- end users
- data sources
- association rules
- training data
- data objects
- real world
- historical data
- semi automated