1.12 Pharmacokinetics

Throughout the last decade, several attempts at developing fast-approximate QSAR models for bioavailability have been published. The first of these was Lipinski's work [1] (see above) and it has been followed by work at Pharmacopia [10], Abbott [8] and GSK [9]. Each of these algorithms has been implemented in Filter. The simplest and probably most trusted is the work of LogP and PSA used by Egan. The most recent work by Martin, the Abbott Bioavailability Score (ABS) appears to be a refinement of the first generation models and is designed specifically to categorize a molecule's probability of having a bioavailability>10% in rats.