A Comparative Assessment of Predictive Accuracies of Conventional and Machine Learning Scoring Functions for Protein-Ligand Binding Affinity Prediction.
Hossam M. AshtawyNihar R. MahapatraPublished in: IEEE ACM Trans. Comput. Biol. Bioinform. (2015)
Keyphrases
- scoring functions
- drug design
- machine learning
- scoring function
- virtual screening
- predictive modeling
- subcellular localization
- protein structure prediction
- contact map
- predictive model
- mhc class ii
- drug discovery
- protein protein
- computational biology
- protein protein interactions
- hiv protease
- decision trees
- protein sequences
- protein interaction
- predicting protein
- text mining
- similarity measure
- dna binding
- feature selection
- pairwise
- active learning
- amino acids
- learning algorithm
- data mining
- probabilistic model
- protein secondary structure prediction
- text classification
- information extraction
- binding sites
- high throughput
- machine learning algorithms