Molecular Docking for Drug Discovery: Machine-Learning Approaches for Native Pose Prediction of Protein-Ligand Complexes.
Hossam M. AshtawyNihar R. MahapatraPublished in: CIBB (2013)
Keyphrases
- drug discovery
- machine learning approaches
- drug design
- virtual screening
- subcellular localization
- machine learning methods
- chemical compounds
- machine learning algorithms
- scientific data
- machine learning
- pharmaceutical industry
- quantitative structure activity
- systems biology
- early stage
- similarity searching
- data mining methods
- mass spectrometry
- high throughput
- decision trees
- biological systems
- protein structure prediction
- data management
- protein protein
- knowledge discovery
- learning algorithm