JP2002514811A - 化合物のバーチャルコンビナトリアルライブラリーの産生 - Google Patents
化合物のバーチャルコンビナトリアルライブラリーの産生Info
- Publication number
- JP2002514811A JP2002514811A JP2000548804A JP2000548804A JP2002514811A JP 2002514811 A JP2002514811 A JP 2002514811A JP 2000548804 A JP2000548804 A JP 2000548804A JP 2000548804 A JP2000548804 A JP 2000548804A JP 2002514811 A JP2002514811 A JP 2002514811A
- Authority
- JP
- Japan
- Prior art keywords
- compounds
- fragments
- fragment
- silico
- mixture
- 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
Classifications
-
- 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
- G16B35/10—Design 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
- 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
- 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
- G16C20/62—Design of libraries
Landscapes
- Engineering & Computer Science (AREA)
- Life Sciences & Earth Sciences (AREA)
- Health & Medical Sciences (AREA)
- Chemical & Material Sciences (AREA)
- Physics & Mathematics (AREA)
- Bioinformatics & Cheminformatics (AREA)
- General Health & Medical Sciences (AREA)
- Bioinformatics & Computational Biology (AREA)
- Library & Information Science (AREA)
- Theoretical Computer Science (AREA)
- Spectroscopy & Molecular Physics (AREA)
- Medicinal Chemistry (AREA)
- Crystallography & Structural Chemistry (AREA)
- Evolutionary Biology (AREA)
- Biophysics (AREA)
- Medical Informatics (AREA)
- Biotechnology (AREA)
- Computing Systems (AREA)
- Molecular Biology (AREA)
- Biochemistry (AREA)
- Pharmacology & Pharmacy (AREA)
- Organic Low-Molecular-Weight Compounds And Preparation Thereof (AREA)
Applications Claiming Priority (5)
Application Number | Priority Date | Filing Date | Title |
---|---|---|---|
US8509298P | 1998-05-12 | 1998-05-12 | |
US60/085,092 | 1998-05-12 | ||
US09/076,405 US6253168B1 (en) | 1998-05-12 | 1998-05-12 | Generation of virtual combinatorial libraries of compounds |
US09/076,405 | 1998-05-12 | ||
PCT/US1999/010493 WO1999059061A1 (en) | 1998-05-12 | 1999-05-12 | Generation of virtual combinatorial libraries of compounds |
Publications (1)
Publication Number | Publication Date |
---|---|
JP2002514811A true JP2002514811A (ja) | 2002-05-21 |
Family
ID=26758067
Family Applications (1)
Application Number | Title | Priority Date | Filing Date |
---|---|---|---|
JP2000548804A Pending JP2002514811A (ja) | 1998-05-12 | 1999-05-12 | 化合物のバーチャルコンビナトリアルライブラリーの産生 |
Country Status (4)
Country | Link |
---|---|
EP (1) | EP1127312A4 (de) |
JP (1) | JP2002514811A (de) |
AU (1) | AU3900999A (de) |
WO (1) | WO1999059061A1 (de) |
Cited By (3)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
JP2021501304A (ja) * | 2017-09-05 | 2021-01-14 | エスアールアイ インターナショナルSRI International | 質量分析によって区別可能な合成化合物、ライブラリ及びその方法 |
JPWO2020054840A1 (ja) * | 2018-09-14 | 2021-08-30 | 富士フイルム株式会社 | 化合物構造の生成方法、化合物構造の生成プログラム、及び化合物構造の生成装置 |
US12040056B2 (en) | 2018-09-14 | 2024-07-16 | Fujifilm Corporation | Method for evaluating synthetic aptitude of compound, program for evaluating synthetic aptitude of compound, and device for evaluating synthetic aptitude of compound |
Families Citing this family (2)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
US6678619B2 (en) | 2000-09-20 | 2004-01-13 | Victor S. Lobanov | Method, system, and computer program product for encoding and building products of a virtual combinatorial library |
GB2375536A (en) * | 2000-12-01 | 2002-11-20 | Univ Sheffield | Combinatorial molecule design system and method |
Family Cites Families (5)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
US5573905A (en) * | 1992-03-30 | 1996-11-12 | The Scripps Research Institute | Encoded combinatorial chemical libraries |
US5565324A (en) * | 1992-10-01 | 1996-10-15 | The Trustees Of Columbia University In The City Of New York | Complex combinatorial chemical libraries encoded with tags |
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 |
US5880972A (en) * | 1996-02-26 | 1999-03-09 | Pharmacopeia, Inc. | Method and apparatus for generating and representing combinatorial chemistry libraries |
EP0818744A3 (de) * | 1996-07-08 | 1998-07-08 | Proteus Molecular Design Limited | Verfahren zur Auswahl von Kandidat-Drogenverbindungen |
-
1999
- 1999-05-12 WO PCT/US1999/010493 patent/WO1999059061A1/en not_active Application Discontinuation
- 1999-05-12 JP JP2000548804A patent/JP2002514811A/ja active Pending
- 1999-05-12 AU AU39009/99A patent/AU3900999A/en not_active Abandoned
- 1999-05-12 EP EP99921921A patent/EP1127312A4/de not_active Withdrawn
Cited By (5)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
JP2021501304A (ja) * | 2017-09-05 | 2021-01-14 | エスアールアイ インターナショナルSRI International | 質量分析によって区別可能な合成化合物、ライブラリ及びその方法 |
JP7090150B2 (ja) | 2017-09-05 | 2022-06-23 | エスアールアイ インターナショナル | 質量分析によって区別可能な合成化合物、ライブラリ及びその方法 |
JPWO2020054840A1 (ja) * | 2018-09-14 | 2021-08-30 | 富士フイルム株式会社 | 化合物構造の生成方法、化合物構造の生成プログラム、及び化合物構造の生成装置 |
JP7190498B2 (ja) | 2018-09-14 | 2022-12-15 | 富士フイルム株式会社 | 化合物構造の生成方法、化合物構造の生成プログラム、及び化合物構造の生成装置 |
US12040056B2 (en) | 2018-09-14 | 2024-07-16 | Fujifilm Corporation | Method for evaluating synthetic aptitude of compound, program for evaluating synthetic aptitude of compound, and device for evaluating synthetic aptitude of compound |
Also Published As
Publication number | Publication date |
---|---|
AU3900999A (en) | 1999-11-29 |
EP1127312A1 (de) | 2001-08-29 |
WO1999059061A1 (en) | 1999-11-18 |
EP1127312A4 (de) | 2004-09-08 |
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