QSPR Correlation of Melting Point for Drug Compounds Based on Different Sources of Molecular Descriptors.
Hassan ModarresiJohn C. DeardenHamid ModarressPublished in: J. Chem. Inf. Model. (2006)
Keyphrases
- drug discovery
- chemical compounds
- virtual screening
- pharmaceutical industry
- drug design
- early stage
- biological systems
- systems biology
- information sources
- scientific data
- discovery process
- molecular structure
- data mining
- shape descriptors
- databases
- correlation coefficient
- keypoints
- image retrieval
- data mining tools
- blind source separation
- knowledge discovery