AmineDB: large scale docking of amines with CYP2D6 and scoring for druglike properties--towards defining the scope of the chemical defense against foreign amines in humans.
Costache AD, Trawick D, Bohl D, Sem DS, Xenobiotica, 2007 Mar - link

Synergistic use of compound properties and docking scores in neural network modeling of CYP2D6 binding: predicting affinity and conformational sampling.
Bazeley PS, Prithivi S, Struble CA, Povinelli RJ, Sem DS, J Chem Inf Model, 2006 Nov-Dec - link