JPS6461432A - Method for estimating and treating partition coefficient of chemical substance - Google Patents
Method for estimating and treating partition coefficient of chemical substanceInfo
- Publication number
- JPS6461432A JPS6461432A JP21939587A JP21939587A JPS6461432A JP S6461432 A JPS6461432 A JP S6461432A JP 21939587 A JP21939587 A JP 21939587A JP 21939587 A JP21939587 A JP 21939587A JP S6461432 A JPS6461432 A JP S6461432A
- Authority
- JP
- Japan
- Prior art keywords
- chemical
- partition coefficient
- substance
- chemical substance
- chemical structure
- Prior art date
- Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
- Pending
Links
Landscapes
- Organic Low-Molecular-Weight Compounds And Preparation Thereof (AREA)
Abstract
PURPOSE:To estimate a partition coefficient of a chemical substance, by comparing a chemical structure of the chemical substance with already registered chemical structures to provide a partition coefficient corresponding to similar chemical structures and calculating the partition coefficient on the basis of the resultant coefficient. CONSTITUTION:At least one chemical structure is extracted from a chemical structure of a chemical substance and compared with already registered fundamental skeletons to determine at least one partition coefficient corresponding to chemical structures similar to that of the above-mentioned chemical substance. The partition coefficient of the chemical substance is then calculated on the basis of the resultant partition coefficient. The afore-mentioned similar chemical structures include those containing the chemical structure as part, those contained as part in the chemical structure of the chemical substance and those containing part of the chemical structure of the chemical substance. If the similar chemical structures are not detected, the chemical structure of the substance is divided into plural atomic groups to add contributions assigned to the respective atomic groups and correction corresponding to the above- mentioned contributions. Thereby the partition coefficient is calculated.
Priority Applications (1)
Application Number | Priority Date | Filing Date | Title |
---|---|---|---|
JP21939587A JPS6461432A (en) | 1987-09-01 | 1987-09-01 | Method for estimating and treating partition coefficient of chemical substance |
Applications Claiming Priority (1)
Application Number | Priority Date | Filing Date | Title |
---|---|---|---|
JP21939587A JPS6461432A (en) | 1987-09-01 | 1987-09-01 | Method for estimating and treating partition coefficient of chemical substance |
Publications (1)
Publication Number | Publication Date |
---|---|
JPS6461432A true JPS6461432A (en) | 1989-03-08 |
Family
ID=16734742
Family Applications (1)
Application Number | Title | Priority Date | Filing Date |
---|---|---|---|
JP21939587A Pending JPS6461432A (en) | 1987-09-01 | 1987-09-01 | Method for estimating and treating partition coefficient of chemical substance |
Country Status (1)
Country | Link |
---|---|
JP (1) | JPS6461432A (en) |
Cited By (2)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
US20100296925A1 (en) * | 2008-01-18 | 2010-11-25 | Yasutaka Sakai | Housing Fastening Method |
US8256209B2 (en) | 2005-07-26 | 2012-09-04 | Robert Bosch Gmbh | Device and method for regenerating a particulate filter |
-
1987
- 1987-09-01 JP JP21939587A patent/JPS6461432A/en active Pending
Cited By (2)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
US8256209B2 (en) | 2005-07-26 | 2012-09-04 | Robert Bosch Gmbh | Device and method for regenerating a particulate filter |
US20100296925A1 (en) * | 2008-01-18 | 2010-11-25 | Yasutaka Sakai | Housing Fastening Method |
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