Evaluating the high-throughput screening computations.
The judges evaluated the submissions for the McMaster University High-Throughput Data-Mining and Docking Competition based on 3 criteria: identification of active compounds, percent enrichment, and overview of the competition. Using these metrics, 4 of the participating groups found meaningful enrichment, and 3 groups made perceptive comments about the general nature of the competition.
Lang
Paula Therese
PT
Chemistry and Chemical Biology Graduate Program, University of California, San Francisco, CA, USA.
Kuntz
Irwin D
ID
Maggiora
Gerald M
GM
Bajorath
Jürgen
J
D019295:Computational Biology / Q000379:methods*; D004926:Escherichia coli / Q000201:enzymology; D029968:Escherichia coli Proteins / Q000037:antagonists & inhibitors / Q000737:chemistry* / Q000378:metabolism; D005493:Folic Acid Antagonists / Q000737:chemistry; D008956:Models, Chemical; D013762:Tetrahydrofolate Dehydrogenase / Q000737:chemistry / Q000378:metabolism
D029968:Escherichia coli Proteins; D005493:Folic Acid Antagonists; D013762:Tetrahydrofolate Dehydrogenase