January 15, 2012 (Vol. 32, No. 2)
Strong Points: Nice organization, downloadable datasets
Weak Points: Nothing major
QSAR (Quantitative Structure Activity Relationship) modeling gives a long name to a straightforward concept—namely, the use of molecular structure to predict toxicity. When might this be useful? Well, QSAR modeling is a key aspect in drug development, to name one example, as many chemical structures can be screened quickly and inexpensively. QSAR World, an online resource dedicated to this form of modeling, is therefore a valuable asset to researchers interested in drug design. Under the literature section, the site contains references to recommended journal articles and a list of journals that publish studies relevant to QSAR modeling. The resources section includes a large number of datasets that can be freely downloaded. Finally, the technical sections provide information of in silico chemistry, machine learning, and statistics…Lots to explore for the QSAR enthusiast!