Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database. [electronic resource]
Producer: 20130617Description: 735-56 p. digitalISSN:- 1420-3049
- Algorithms
- Animals
- Area Under Curve
- Computer Simulation
- Databases, Chemical -- standards
- Decision Trees
- Drug Discovery -- standards
- High-Throughput Screening Assays -- standards
- Humans
- Inhibitory Concentration 50
- Ligands
- Models, Chemical
- Neural Networks, Computer
- Quality Improvement
- Quantitative Structure-Activity Relationship
- ROC Curve
- Support Vector Machine
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Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.
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