Training Based on Ligand Efficiency Improves Prediction of Bioactivities of Ligands and Drug Target Proteins in a Machine Learning Approach.
Nobuyoshi SugayaPublished in: J. Chem. Inf. Model. (2013)
Keyphrases
- drug design
- protein structure prediction
- protein protein interactions
- prediction accuracy
- subcellular localization
- training set
- drug discovery
- microarray
- high throughput
- prediction model
- protein structure
- protein protein
- predicting protein
- biological data
- decision trees
- training samples
- supervised learning
- computational complexity