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April 01, 2009 (Vol. 29, No. 7)

QSAR World

  • Technical and data sections
  • Very uninspired
Quantitative structure-activity relationship (QSAR) is aimed at using structural information about chemicals to predict function. The idea here is that molecules with similar functional groups will have similar properties. As a simple example, boiling points are related to the amount of hydrogen bonding a molecule can undergo. Modern QSAR goes far beyond such simple properties. For example, QSAR modeling may be used to identify ligands for binding to hormone receptors or designing drugs based on the effectiveness or means of action of existing ones. QSAR World aims to assist professionals in this field in their efforts, but struggles with a rather boring organizational scheme and a disappointing amount of information. The technical sections are somewhat educational and the Web-based Resources section provides access to numerous databases, so there are at least a few goodies to be had.
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