Small Molecule Conformational Preferences Derived from Crystal Structure Data. A Medicinal Chemistry Focused Analysis.
Ken A. BrameldBernd KuhnDeborah C. ReuterMartin StahlPublished in: J. Chem. Inf. Model. (2008)
Keyphrases
- data analysis
- statistical analysis
- data sets
- database
- raw data
- data sources
- data collection
- network structure
- empirical data
- data quality
- small number
- knowledge discovery
- computer systems
- structural information
- original data
- high dimensional
- high quality
- small fraction
- data distribution
- sensor data
- missing data
- high dimensional data
- data processing
- input data
- image data
- data points
- prior knowledge
- data structure
- decision trees