发明授权
- 专利标题： Method and system of estimating the cross-sectional area of a molecule for use in the prediction of ion mobility
- 专利标题（中）： 估计用于预测离子迁移率的分子的横截面积的方法和系统
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申请号： US13264042申请日： 2010-04-15
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公开(公告)号： US08655600B2公开(公告)日： 2014-02-18
- 发明人: Keith George Richardson , Iain David Grant Campuzano
- 申请人： Keith George Richardson , Iain David Grant Campuzano
- 申请人地址： GB Manchester
- 专利权人： Micromass UK Limited
- 当前专利权人： Micromass UK Limited
- 当前专利权人地址： GB Manchester
- 代理机构： Diederiks & Whitelaw, PLC
- 优先权： GB0906466.8 20090415; GB0906467.6 20090415
- 国际申请： PCT/GB2010/050630 WO 20100415
- 国际公布： WO2010/119293 WO 20101021
- 主分类号： G01N33/48
- IPC分类号： G01N33/48 ; G01N33/50
摘要：
A method of estimating the cross-sectional area of a molecule for use in the prediction of ion mobility gives gas phase interaction radii determination and cross-sectional algorithm computation to provide separation and characterization of structurally related isomers. More specifically, the invention provides a method of correlating the differences in the molecular structures with differences in anti-cancer activity of pre-determined anti-cancer drugs by utilizing a new algorithm for estimating the cross-sectional area of the molecules of such drugs.
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