Training based on ligand efficiency improves prediction of bioactivities of ligands and drug target proteins in a machine learning approach. [electronic resource]
Producer: 20140606Description: 2525-37 p. digitalISSN:- 1549-960X
- Area Under Curve
- Artificial Intelligence
- Data Mining
- Databases, Chemical
- Databases, Pharmaceutical
- Drug Discovery
- Humans
- Inhibitory Concentration 50
- Ligands
- Principal Component Analysis
- Protein Kinases -- chemistry
- Receptors, G-Protein-Coupled -- agonists
- Sensitivity and Specificity
- Small Molecule Libraries -- chemistry
- Support Vector Machine
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Publication Type: Journal Article
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