ATE243337T1 - Verfahren zur vorhersage, identifizierung und beschreibung von molekülen die ein gewünschtes verhalten aufweisen, inbesondere im pharmazeutischen sektor und derart hergestellte moleküle - Google Patents
Verfahren zur vorhersage, identifizierung und beschreibung von molekülen die ein gewünschtes verhalten aufweisen, inbesondere im pharmazeutischen sektor und derart hergestellte moleküleInfo
- Publication number
- ATE243337T1 ATE243337T1 AT98964546T AT98964546T ATE243337T1 AT E243337 T1 ATE243337 T1 AT E243337T1 AT 98964546 T AT98964546 T AT 98964546T AT 98964546 T AT98964546 T AT 98964546T AT E243337 T1 ATE243337 T1 AT E243337T1
- Authority
- AT
- Austria
- Prior art keywords
- molecules
- identification
- description
- prediction
- way
- Prior art date
Links
Classifications
-
- C—CHEMISTRY; METALLURGY
- C07—ORGANIC CHEMISTRY
- C07K—PEPTIDES
- C07K1/00—General methods for the preparation of peptides, i.e. processes for the organic chemical preparation of peptides or proteins of any length
-
- 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 [2D] or three-dimensional [3D] molecular structures, e.g. structural or functional relations or structure alignment
-
- 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
- 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
- G16C20/60—In silico combinatorial chemistry
- G16C20/64—Screening of libraries
-
- 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
- G16B35/00—ICT specially adapted for in silico combinatorial libraries of nucleic acids, proteins or peptides
-
- 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
- G16C20/50—Molecular design, e.g. of drugs
-
- 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
- G16C20/60—In silico combinatorial chemistry
Landscapes
- Chemical & Material Sciences (AREA)
- Life Sciences & Earth Sciences (AREA)
- Engineering & Computer Science (AREA)
- Bioinformatics & Computational Biology (AREA)
- Health & Medical Sciences (AREA)
- General Health & Medical Sciences (AREA)
- Theoretical Computer Science (AREA)
- Crystallography & Structural Chemistry (AREA)
- Bioinformatics & Cheminformatics (AREA)
- Computing Systems (AREA)
- Medicinal Chemistry (AREA)
- Organic Chemistry (AREA)
- Biophysics (AREA)
- Molecular Biology (AREA)
- Physics & Mathematics (AREA)
- Spectroscopy & Molecular Physics (AREA)
- Library & Information Science (AREA)
- Proteomics, Peptides & Aminoacids (AREA)
- Analytical Chemistry (AREA)
- Biochemistry (AREA)
- Genetics & Genomics (AREA)
- Evolutionary Biology (AREA)
- Medical Informatics (AREA)
- Biotechnology (AREA)
- Peptides Or Proteins (AREA)
- Measuring Or Testing Involving Enzymes Or Micro-Organisms (AREA)
- Organic Low-Molecular-Weight Compounds And Preparation Thereof (AREA)
- Medicines Containing Material From Animals Or Micro-Organisms (AREA)
- Management, Administration, Business Operations System, And Electronic Commerce (AREA)
- Investigating Or Analysing Biological Materials (AREA)
- Telephone Function (AREA)
- Medicines That Contain Protein Lipid Enzymes And Other Medicines (AREA)
Applications Claiming Priority (2)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| FR9716706A FR2773240B1 (fr) | 1997-12-30 | 1997-12-30 | Procede pour prevoir, identifier et decrire des molecules susceptibles de presenter un comportement recherche, notamment dans le domaine de la pharmacie et molecules obtenues par ce procede |
| PCT/FR1998/002909 WO1999035598A1 (fr) | 1997-12-30 | 1998-12-29 | Procede pour prevoir, identifier et decrire des molecules susceptibles de presenter un comportement recherche, notamment dans le domaine de la pharmacie et molecules obtenues par ce procede |
Publications (1)
| Publication Number | Publication Date |
|---|---|
| ATE243337T1 true ATE243337T1 (de) | 2003-07-15 |
Family
ID=9515300
Family Applications (1)
| Application Number | Title | Priority Date | Filing Date |
|---|---|---|---|
| AT98964546T ATE243337T1 (de) | 1997-12-30 | 1998-12-29 | Verfahren zur vorhersage, identifizierung und beschreibung von molekülen die ein gewünschtes verhalten aufweisen, inbesondere im pharmazeutischen sektor und derart hergestellte moleküle |
Country Status (13)
| Country | Link |
|---|---|
| US (1) | US7024311B1 (de) |
| EP (1) | EP1044418B1 (de) |
| JP (1) | JP2002501233A (de) |
| AT (1) | ATE243337T1 (de) |
| AU (1) | AU771430B2 (de) |
| CA (1) | CA2315364A1 (de) |
| DE (1) | DE69815718T2 (de) |
| DK (1) | DK1044418T3 (de) |
| ES (1) | ES2200405T3 (de) |
| FR (1) | FR2773240B1 (de) |
| IL (1) | IL137013A0 (de) |
| PT (1) | PT1044418E (de) |
| WO (1) | WO1999035598A1 (de) |
Families Citing this family (7)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| EP1111533A3 (de) * | 1999-12-15 | 2006-06-07 | Pfizer Products Inc. | Logistische Regressionsbäume für Arzneimittel |
| EP1326183A1 (de) * | 2002-01-08 | 2003-07-09 | Synt:Em S.A. | In-Silico-Screeningverfahren von Molekülen |
| JP5512077B2 (ja) * | 2006-11-22 | 2014-06-04 | 株式会社 資生堂 | 安全性評価方法、安全性評価システム及び安全性評価プログラム |
| KR102523472B1 (ko) | 2016-08-01 | 2023-04-18 | 삼성전자주식회사 | 신규 물질의 구조 생성 방법 및 장치 |
| JP2021081819A (ja) * | 2019-11-15 | 2021-05-27 | 株式会社日立製作所 | 材料設計システム及び材料設計方法 |
| CN112309508B (zh) * | 2020-11-02 | 2024-11-15 | 苏州创腾软件有限公司 | 化合物的解析方法、装置、计算机设备和存储介质 |
| JPWO2023171448A1 (de) * | 2022-03-11 | 2023-09-14 |
Family Cites Families (6)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| US5463564A (en) * | 1994-09-16 | 1995-10-31 | 3-Dimensional Pharmaceuticals, Inc. | System and method of automatically generating chemical compounds with desired properties |
| US5784294A (en) * | 1995-06-09 | 1998-07-21 | International Business Machines Corporation | System and method for comparative molecular moment analysis (CoMMA) |
| US6185506B1 (en) * | 1996-01-26 | 2001-02-06 | Tripos, Inc. | Method for selecting an optimally diverse library of small molecules based on validated molecular structural descriptors |
| WO1997027559A1 (en) * | 1996-01-26 | 1997-07-31 | Patterson David E | Method of creating and searching a molecular virtual library using validated molecular structure descriptors |
| BR9808529B1 (pt) | 1997-04-11 | 2010-10-05 | oligopeptìdeo. | |
| US6182016B1 (en) * | 1997-08-22 | 2001-01-30 | Jie Liang | Molecular classification for property prediction |
-
1997
- 1997-12-30 FR FR9716706A patent/FR2773240B1/fr not_active Expired - Fee Related
-
1998
- 1998-12-29 JP JP2000527902A patent/JP2002501233A/ja active Pending
- 1998-12-29 PT PT98964546T patent/PT1044418E/pt unknown
- 1998-12-29 EP EP98964546A patent/EP1044418B1/de not_active Expired - Lifetime
- 1998-12-29 DE DE69815718T patent/DE69815718T2/de not_active Expired - Fee Related
- 1998-12-29 CA CA002315364A patent/CA2315364A1/fr not_active Abandoned
- 1998-12-29 WO PCT/FR1998/002909 patent/WO1999035598A1/fr not_active Ceased
- 1998-12-29 AT AT98964546T patent/ATE243337T1/de not_active IP Right Cessation
- 1998-12-29 DK DK98964546T patent/DK1044418T3/da active
- 1998-12-29 ES ES98964546T patent/ES2200405T3/es not_active Expired - Lifetime
- 1998-12-29 AU AU19722/99A patent/AU771430B2/en not_active Ceased
- 1998-12-29 IL IL13701398A patent/IL137013A0/xx unknown
-
1999
- 1999-07-22 US US09/359,181 patent/US7024311B1/en not_active Expired - Fee Related
Also Published As
| Publication number | Publication date |
|---|---|
| JP2002501233A (ja) | 2002-01-15 |
| EP1044418B1 (de) | 2003-06-18 |
| DE69815718D1 (de) | 2003-07-24 |
| DK1044418T3 (da) | 2003-10-13 |
| IL137013A0 (en) | 2001-06-14 |
| AU771430B2 (en) | 2004-03-25 |
| DE69815718T2 (de) | 2004-05-19 |
| US7024311B1 (en) | 2006-04-04 |
| AU1972299A (en) | 1999-07-26 |
| FR2773240B1 (fr) | 2002-11-29 |
| EP1044418A1 (de) | 2000-10-18 |
| WO1999035598A1 (fr) | 1999-07-15 |
| PT1044418E (pt) | 2003-11-28 |
| ES2200405T3 (es) | 2004-03-01 |
| FR2773240A1 (fr) | 1999-07-02 |
| CA2315364A1 (fr) | 1999-07-15 |
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| REN | Ceased due to non-payment of the annual fee |