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Activity evaluation method for evaluation of target compounds using Fukui function
Activity evaluation method for evaluation of target compounds using Fukui function
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机译:利用Fukui函数评估目标化合物的活性评估方法
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摘要
In an activity evaluation method for an evaluation target compound, among atoms constituting the evaluation target compound, one or more are set as analysis points, and an activity of the evaluation target compound with respect to a high molecular compound is calculated based on a predetermined evaluation expression having Fukui function values as variables obtained by numerical calculation for the set analysis points.
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