公开(公告)号：EP1358612A2

公开(公告)日：2003-11-05

申请号：EP01957310.4

申请日：2001-07-30

申请人： LION bioscience AG

发明人： GRASS, George, M. ,  LEESMAN, Glen, D. ,  NORRIS, Daniel, A. ,  SINKO, Patrick, J. ,  ATHWAL, Jehangir ,  SAGE, Carleton ,  BREMER, Troy ,  HOLME, Kevin ,  YONG, Lee ,  LEE, Kyoung

IPC分类号： G06F19/00

CPC分类号： G06F19/704 ,  G06F19/00 ,  G06F19/707 ,  G16H10/40 ,  G16H50/50

摘要： Permeability models and methods for creating the models are disclosed. The models include receiving as an input in vitro permeability and structure data for a particular compound. Then the data is mapped to at least one permeability. In some models the data is mapped to a plurality of permeabilities, each associated with a specific region in a mammalian GI tract. Some models may take into consideration solubility, permeability and at least one molecular descriptor associated with the compound of interest.