Evaluating the high-throughput screening computations

J Biomol Screen. 2005 Oct;10(7):649-52. doi: 10.1177/1087057105281269. Epub 2005 Sep 16.

Abstract

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.

MeSH terms

  • Computational Biology / methods*
  • Escherichia coli / enzymology
  • Escherichia coli Proteins / antagonists & inhibitors
  • Escherichia coli Proteins / chemistry*
  • Escherichia coli Proteins / metabolism
  • Folic Acid Antagonists / chemistry
  • Models, Chemical*
  • Tetrahydrofolate Dehydrogenase / chemistry
  • Tetrahydrofolate Dehydrogenase / metabolism

Substances

  • Escherichia coli Proteins
  • Folic Acid Antagonists
  • Tetrahydrofolate Dehydrogenase