发明授权
US07337073B2 Activity evaluation method for evaluation of target compounds using Fukui function
有权
使用福井功能评价目标化合物的活性评价方法
- 专利标题： Activity evaluation method for evaluation of target compounds using Fukui function
- 专利标题（中）： 使用福井功能评价目标化合物的活性评价方法
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申请号： US11442478申请日： 2006-05-26
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公开(公告)号： US07337073B2公开(公告)日： 2008-02-26
- 发明人: Haruki Eguchi , Yoshihiro Ishikawa , Kousaki Iwatsubo
- 申请人： Haruki Eguchi , Yoshihiro Ishikawa , Kousaki Iwatsubo
- 申请人地址： JP JP
- 专利权人： Ishikawajima-Harima Heavy Industries Co., Ltd.,Yoshihiro Ishikawa
- 当前专利权人： Ishikawajima-Harima Heavy Industries Co., Ltd.,Yoshihiro Ishikawa
- 当前专利权人地址： JP JP
- 代理机构： Ostrolenk, Faber, Gerb & Soffen, LLP
- 优先权： JPP2005-251189 20050831
- 主分类号： G06F19/00
- IPC分类号： G06F19/00 ; G06G7/60
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.