Schomburg, Karen T <br/><br/>
Benchmark data sets for structure-based computational target prediction.  [electronic resource] 

 -  Journal of chemical information and modeling  Aug 2014 
 - 2261-74 p.  digital 
<br/><br/> Publication Type: Journal Article 
<br/><br/><label>ISSN: </label>1549-960X 
<br/><br/><label>Standard No.: </label>10.1021/ci500131x  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Algorithms<br/>Benchmarking<br/>Binding Sites<br/>Crystallography, X-Ray<br/>Datasets as Topic<br/>Enzyme Inhibitors--chemistry<br/>Histone Deacetylases--chemistry<br/>Humans<br/>Ligands<br/>Molecular Docking Simulation<br/>Phosphoric Diester Hydrolases--chemistry<br/>Protein Binding<br/>Protein Conformation<br/>Serine Proteases--chemistry<br/>Small Molecule Libraries--chemistry<br/>Structure-Activity Relationship<br/>Thermodynamics