Invention Grant
- Patent Title: Method and system of estimating the cross-sectional area of a molecule for use in the prediction of ion mobility
- Patent Title (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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Application No.: US13264042Application Date: 2010-04-15
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Publication No.: US08655600B2Publication Date: 2014-02-18
- Inventor: Keith George Richardson , Iain David Grant Campuzano
- Applicant: Keith George Richardson , Iain David Grant Campuzano
- Applicant Address: GB Manchester
- Assignee: Micromass UK Limited
- Current Assignee: Micromass UK Limited
- Current Assignee Address: GB Manchester
- Agency: Diederiks & Whitelaw, PLC
- Priority: GB0906466.8 20090415; GB0906467.6 20090415
- International Application: PCT/GB2010/050630 WO 20100415
- International Announcement: WO2010/119293 WO 20101021
- Main IPC: G01N33/48
- IPC: G01N33/48 ; G01N33/50
Abstract:
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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