Butkiewicz, Mariusz <br/><br/>
Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database.  [electronic resource] 

 -  Molecules (Basel, Switzerland)  Jan 2013 
 - 735-56 p.  digital 
<br/><br/> 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. 
<br/><br/><label>ISSN: </label>1420-3049 
<br/><br/><label>Standard No.: </label>10.3390/molecules18010735  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Algorithms<br/>Animals<br/>Area Under Curve<br/>Computer Simulation<br/>Databases, Chemical--standards<br/>Decision Trees<br/>Drug Discovery--standards<br/>High-Throughput Screening Assays--standards<br/>Humans<br/>Inhibitory Concentration 50<br/>Ligands<br/>Models, Chemical<br/>Neural Networks, Computer<br/>Quality Improvement<br/>Quantitative Structure-Activity Relationship<br/>ROC Curve<br/>Support Vector Machine