These models are useful in predicting whether an unknown substance of abuse can permeate the BBB to produce effects predicted by the Public Health Assessment via Structural Evaluation (PHASE) approach ...
Bioisostere replacement is a powerful and popular tool used to optimize the potency and selectivity of candidate molecules in drug discovery. Selecting the right bioisosteres to invest resources in ...
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 ...