公开(公告)号：EP1590761A2

公开(公告)日：2005-11-02

申请号：EP04707978.5

申请日：2004-02-04

申请人： ID Business Solutions Ltd.

发明人： KOLOSSOV, Evgueni

IPC分类号： G06F19/00

CPC分类号： G06F19/707 ,  G06F19/704

摘要： A chemical analysis apparatus and method is disclosed. The purpose of the method is to identify subranges in data produced by a programme of chemical analysis such as QSAR or QSPR analysis. The method comprises iteratively selecting subranges of the data and calculating a regression value from a relationship between an activity of each molecule within the subrange and a structural feature of the molecule for the subrange. If this value is in excess of a predetermined threshold, then it is assumed that a linear subrange has been identified. The apparatus allows a user to adjust the subrange through interaction with a graphical display, and then re-calculate the regression value.