Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation.
Hanna GeppertMartin VogtJürgen BajorathPublished in: J. Chem. Inf. Model. (2010)
Keyphrases
- virtual screening
- data mining methods
- drug discovery
- current trends
- similarity searching
- chemical structures
- data mining
- binding sites
- data mining tools
- high throughput
- data mining techniques
- dna sequences
- scoring function
- lessons learned
- future directions
- data mining algorithms
- low dimensional
- decision trees
- real world