Activity evaluation method for evaluation of target compounds using Fukui function
US7337073B2 · kind B2 · utility
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Key dates
| Filing date | May 26, 2006 |
| Grant date | Feb 26, 2008 |
| Priority date | — |
| Expiry date | May 26, 2026 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16B15/00
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
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.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.