A 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
WO2010119289(A3)
申请公布日期
2010.12.09
申请号
WO2010GB50625
申请日期
2010.04.15
申请人
MICROMASS UK LIMITED;RICHARDSON, KEITH GEORGE;CAMPUZANO, IAIN DAVID GRANT
发明人
RICHARDSON, KEITH GEORGE;CAMPUZANO, IAIN DAVID GRANT