A Comparative Assessment of Conventional and Machine-Learning-Based Scoring Functions in Predicting Binding Affinities of Protein-Ligand Complexes.
Hossam M. AshtawyNihar R. MahapatraPublished in: BIBM (2011)
Keyphrases
- scoring functions
- machine learning
- scoring function
- virtual screening
- drug design
- protein complexes
- protein protein
- predicting protein
- drug discovery
- computational biology
- pairwise
- dna binding
- similarity measure
- learning algorithm
- feature selection
- protein sequences
- protein structure
- high throughput
- reinforcement learning
- inductive logic programming
- machine learning algorithms
- active learning
- decision trees
- data mining
- protein protein interactions
- binding sites
- web search engines
- protein interaction networks
- protein function
- text classification
- information extraction