DE602006009635D1 - Deskriptoren für dreidimensionale Objekte, deren Verwendung und Verfahren zu deren Erstellung - Google Patents
Deskriptoren für dreidimensionale Objekte, deren Verwendung und Verfahren zu deren ErstellungInfo
- Publication number
- DE602006009635D1 DE602006009635D1 DE602006009635T DE602006009635T DE602006009635D1 DE 602006009635 D1 DE602006009635 D1 DE 602006009635D1 DE 602006009635 T DE602006009635 T DE 602006009635T DE 602006009635 T DE602006009635 T DE 602006009635T DE 602006009635 D1 DE602006009635 D1 DE 602006009635D1
- Authority
- DE
- Germany
- Prior art keywords
- cage
- dimensional object
- descriptors
- creating
- methods
- 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.)
- Active
Links
Classifications
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
- G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
- G16C20/30—Prediction of properties of chemical compounds, compositions or mixtures
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
- G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
- G16B15/30—Drug targeting using structural data; Docking or binding prediction
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
- G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
Landscapes
- Chemical & Material Sciences (AREA)
- Engineering & Computer Science (AREA)
- Bioinformatics & Cheminformatics (AREA)
- Life Sciences & Earth Sciences (AREA)
- Spectroscopy & Molecular Physics (AREA)
- Health & Medical Sciences (AREA)
- Physics & Mathematics (AREA)
- Theoretical Computer Science (AREA)
- Bioinformatics & Computational Biology (AREA)
- Crystallography & Structural Chemistry (AREA)
- Pharmacology & Pharmacy (AREA)
- Biophysics (AREA)
- Biotechnology (AREA)
- Evolutionary Biology (AREA)
- General Health & Medical Sciences (AREA)
- Medical Informatics (AREA)
- Medicinal Chemistry (AREA)
- Computing Systems (AREA)
- Processing Or Creating Images (AREA)
- Image Generation (AREA)
- Information Retrieval, Db Structures And Fs Structures Therefor (AREA)
- Image Processing (AREA)
- Testing, Inspecting, Measuring Of Stereoscopic Televisions And Televisions (AREA)
Applications Claiming Priority (1)
Application Number | Priority Date | Filing Date | Title |
---|---|---|---|
EP06011342A EP1862927B1 (de) | 2006-06-01 | 2006-06-01 | Deskriptoren für dreidimensionale Objekte, deren Verwendung und Verfahren zu deren Erstellung |
Publications (1)
Publication Number | Publication Date |
---|---|
DE602006009635D1 true DE602006009635D1 (de) | 2009-11-19 |
Family
ID=37983460
Family Applications (1)
Application Number | Title | Priority Date | Filing Date |
---|---|---|---|
DE602006009635T Active DE602006009635D1 (de) | 2006-06-01 | 2006-06-01 | Deskriptoren für dreidimensionale Objekte, deren Verwendung und Verfahren zu deren Erstellung |
Country Status (5)
Country | Link |
---|---|
EP (1) | EP1862927B1 (de) |
AT (1) | ATE445193T1 (de) |
DE (1) | DE602006009635D1 (de) |
ES (1) | ES2339872T3 (de) |
HK (1) | HK1115654A1 (de) |
Families Citing this family (4)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
WO2009146735A1 (en) * | 2008-06-03 | 2009-12-10 | Silicos Nv | Descriptors of three-dimensional objects, uses thereof and a method to generate the same |
US8374837B2 (en) | 2008-06-04 | 2013-02-12 | Silicos Nv | Descriptors of three-dimensional objects, uses thereof and a method to generate the same |
CN103093100B (zh) * | 2013-01-21 | 2016-06-01 | 上海交通大学 | 花色苷抗氧化活性三维定量构效关系模型的构建方法 |
CN116227253B (zh) * | 2023-05-10 | 2023-07-11 | 吉林大学 | 一种高通量计算广义配位数和电子描述符的方法 |
-
2006
- 2006-06-01 AT AT06011342T patent/ATE445193T1/de not_active IP Right Cessation
- 2006-06-01 DE DE602006009635T patent/DE602006009635D1/de active Active
- 2006-06-01 ES ES06011342T patent/ES2339872T3/es active Active
- 2006-06-01 EP EP06011342A patent/EP1862927B1/de active Active
-
2008
- 2008-06-03 HK HK08106146.2A patent/HK1115654A1/xx not_active IP Right Cessation
Also Published As
Publication number | Publication date |
---|---|
EP1862927B1 (de) | 2009-10-07 |
ATE445193T1 (de) | 2009-10-15 |
HK1115654A1 (en) | 2008-12-05 |
ES2339872T3 (es) | 2010-05-26 |
EP1862927A1 (de) | 2007-12-05 |
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Legal Events
Date | Code | Title | Description |
---|---|---|---|
8364 | No opposition during term of opposition |