发明名称 |
METHOD AND SYSTEM OF ESTIMATING THE CROSS-SECTIONAL AREA OF A MOLECULE FOR USE IN THE PREDICTION OF ION MOBILITY |
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 characterisation 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. |
申请公布号 |
US2012130700(A1) |
申请公布日期 |
2012.05.24 |
申请号 |
US201013264042 |
申请日期 |
2010.04.15 |
申请人 |
RICHARDSON KEITH GEORGE;CAMPUZANO IAIN DAVID GRANT;MICROMASS UK LIMITED |
发明人 |
RICHARDSON KEITH GEORGE;CAMPUZANO IAIN DAVID GRANT |
分类号 |
G06G7/58;G06F19/16 |
主分类号 |
G06G7/58 |
代理机构 |
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代理人 |
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主权项 |
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地址 |
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