Estimation of the size of drug-like chemical space based on GDB-17 data.
Pavel G. PolishchukTimur I. MadzhidovAlexandre VarnekPublished in: J. Comput. Aided Mol. Des. (2013)
Keyphrases
- data sets
- raw data
- data analysis
- training data
- original data
- experimental data
- data quality
- synthetic data
- input space
- high quality
- end users
- data points
- image data
- input data
- prior knowledge
- computer systems
- high dimensional data
- metadata
- data distribution
- dimensional data
- database
- chemical compounds
- attribute values
- data processing
- feature selection
- data mining