Prediction of intestinal permeability.
This review focuses on computational methods for the prediction of passive intestinal permeability. Existing computational models are surveyed and assessed in terms of descriptors, model type/complexity, speed of computation, predictive performance, and interpretability. Challenges to the successful computational prediction of intestinal permeability, i.e. data quantity, measurement imprecision, confounding factors such as solubility, metabolism, or active efflux, and the need for robust statistical methods, are also discussed.
Egan
William J
WJ
Accelrys Inc., ADMET R&D, CN 5350, Princeton, NJ 08543-5350, USA. bill_egan@vrtx.com
Lauri
Georgio
G
D000818:Animals; D019295:Computational Biology; D006801:Humans; D007408:Intestinal Absorption / Q000502:physiology*; D008954:Models, Biological; D015233:Models, Statistical; D010539:Permeability; D011237:Predictive Value of Tests