Method of predicting traveling time of ionic compound by...

G - Physics – 01 – N

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G01N 27/447 (2006.01) G01N 27/26 (2006.01) G01N 27/62 (2006.01) G01N 37/00 (2006.01)

Patent

CA 2578436

When predicting the traveling time of a low-molecular compound of which the traveling time within micro-chip type electrophoresis, capillary electrophoresis (CE) or capillary electrophoresis/mass spectrometer (CE/MS) is unknown, first the feature amount, that can be numerically expressed from its structure, of a substance of which the electrophoresis traveling time is known is calculated to predict the relation between the feature amount and the traveling time, the traveling times of several substances are measured by electrophoresis or electrophoresis/mass spectrometer to let them learn the above relations, and the traveling time of a substance is predicted from the structure of the substance of which the traveling time within electrophoresis or electrophoresis/mass spectrometer is unknown by using the learned results.

Pour prédire le temps de parcours d~un composé faiblement moléculaire dont le temps de parcours dans une électrophorèse de type micropuce, une électrophorèse capillaire (CE) ou une électrophorèse capillaire/spectrométrie de masse (CE/MS) est inconnu, on calcule d~abord la quantité caractéristique, qui peut s~exprimer de façon numérique à partir de sa structure, d~une substance dont le temps de parcours d~électrophorèse est connu, pour prévoir la relation entre la quantité caractéristique et le temps de parcours, puis on mesure le temps de parcours de plusieurs substances par électrophorèse ou électrophorèse/spectrométrie de masse pour apprendre les relations ci-dessus, et l~on prédit le temps de parcours d~une substance à partir d~une structure de la substance dont le temps de parcours dans une électrophorèse ou une électrophorèse/spectrométrie de masse est inconnu à l~aide des résultats appris.

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