Method for Predicting the Migration Time of Ionic Compounds by Electrophoretic Measurement
First Claim
1. A method for predicting a migration time of an ionic compound by electrophoretic measurement, characterized in that, when the migration time of a substance having an unknown migration time in microchip electrophoresis, capillary electrophoresis, or a capillary electrophoresis mass spectrometer is predicted, first, with respect to a substance having a known electrophoretic migration time, characteristic quantities (descriptors) thereof which can be numerically expressed from a structure thereof are computed to predict relation between the characteristic quantities (descriptors) and the migration time;
- the migration times of some substances are measured by electrophoresis or an electrophoresis mass spectrometer to learn about the relation; and
using the learnt result, the migration time of the substance having an unknown migration time in the electrophoresis or electrophoresis mass spectrometer is predicted from the structure thereof.
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Abstract
When the migration time of a low molecular weight compound having an unknown migration time in microchip electrophoresis, capillary electrophoresis, or a capillary electrophoresis mass spectrometer is predicted, first, with respect to a substance having a known electrophoretic migration time, characteristic quantities (descriptors) thereof which can be numerically expressed from a structure thereof are computed to predict the relation between the characteristic quantities (descriptors) and the migration time; the migration times of some substances are measured by electrophoresis or an electrophoresis mass spectrometer to learn about the relation; and using the learnt result, the migration time of the substance having an unknown migration time in the electrophoresis or electrophoresis mass spectrometer is predicted from the structure thereof.
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9 Claims
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1. A method for predicting a migration time of an ionic compound by electrophoretic measurement, characterized in that, when the migration time of a substance having an unknown migration time in microchip electrophoresis, capillary electrophoresis, or a capillary electrophoresis mass spectrometer is predicted,
first, with respect to a substance having a known electrophoretic migration time, characteristic quantities (descriptors) thereof which can be numerically expressed from a structure thereof are computed to predict relation between the characteristic quantities (descriptors) and the migration time; -
the migration times of some substances are measured by electrophoresis or an electrophoresis mass spectrometer to learn about the relation; and
using the learnt result, the migration time of the substance having an unknown migration time in the electrophoresis or electrophoresis mass spectrometer is predicted from the structure thereof. - View Dependent Claims (2, 3, 4, 5, 6, 7, 8, 9)
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Specification