A Comparative Assessment of Ranking Accuracies of Conventional and Machine-Learning-Based Scoring Functions for Protein-Ligand Binding Affinity Prediction.
Hossam M. AshtawyNihar R. MahapatraPublished in: IEEE ACM Trans. Comput. Biol. Bioinform. (2012)
Keyphrases
- scoring functions
- drug design
- scoring function
- machine learning
- virtual screening
- subcellular localization
- protein structure prediction
- contact map
- drug discovery
- protein sequences
- dna binding
- computational biology
- mhc class ii
- similarity measure
- protein protein
- protein interaction
- feature selection
- machine learning algorithms
- predicting protein
- feature ranking
- ranking functions
- decision trees
- binding sites
- text classification
- active learning
- information extraction
- structure learning
- amino acids
- protein structure
- text mining
- least squares
- protein protein interactions
- amino acid sequences
- recommender systems
- pairwise
- supervised learning
- reinforcement learning
- hiv protease
- graphical models
- information retrieval