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, ...
A generic BAF model for fish. BAF-QSAR v1.1 provides estimates of the bioaccumulation factor (BAF) for generic fish species in lower, middle and upper trophic levels of aquatic food webs. The BAF ...