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METHOD AND SYSTEM FOR DETERMINING THE EFFECT OF A MOLECULAR MODIFICATION ON THE METABOLISM RATEOF A MOLECULE
METHOD AND SYSTEM FOR DETERMINING THE EFFECT OF A MOLECULAR MODIFICATION ON THE METABOLISM RATEOF A MOLECULE
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机译：确定分子修饰对分子代谢率影响的方法和系统
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摘要
Reactive sites on a substrate molecule, typically a drug, may be identified and the relative rates of their metabolism by the CYP enzymes may be determined. Determining these relative rates is an important factor in determining the absolute rate of metabolism of the individual sites and the substrate molecule as a whole. This information is also a critical factor in determining whether and how the substrate can be redesigned to improve its ADME/PK properties. In this regard, it is particularly important to know how the relative rates compare to the rate of a non-metabolic side reaction (branch pathway) such as water generation and regeneration of the substrate.
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