IL138100A0 - Method and apparatus for evaluating molecular similarity - Google Patents
Method and apparatus for evaluating molecular similarityInfo
- Publication number
- IL138100A0 IL138100A0 IL13810099A IL13810099A IL138100A0 IL 138100 A0 IL138100 A0 IL 138100A0 IL 13810099 A IL13810099 A IL 13810099A IL 13810099 A IL13810099 A IL 13810099A IL 138100 A0 IL138100 A0 IL 138100A0
- Authority
- IL
- Israel
- Prior art keywords
- molecular similarity
- evaluating molecular
- evaluating
- similarity
- molecular
- Prior art date
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
- G16C20/40—Searching chemical structures or physicochemical data
Landscapes
- Chemical & Material Sciences (AREA)
- Crystallography & Structural Chemistry (AREA)
- Life Sciences & Earth Sciences (AREA)
- Engineering & Computer Science (AREA)
- Bioinformatics & Cheminformatics (AREA)
- Bioinformatics & Computational Biology (AREA)
- Computing Systems (AREA)
- Theoretical Computer Science (AREA)
- Information Retrieval, Db Structures And Fs Structures Therefor (AREA)
- Investigating Or Analysing Biological Materials (AREA)
Applications Claiming Priority (2)
Application Number | Priority Date | Filing Date | Title |
---|---|---|---|
US7607798P | 1998-02-26 | 1998-02-26 | |
PCT/US1999/004343 WO1999044055A1 (en) | 1998-02-26 | 1999-02-26 | Method and apparatus for evaluating molecular similarity |
Publications (1)
Publication Number | Publication Date |
---|---|
IL138100A0 true IL138100A0 (en) | 2001-10-31 |
Family
ID=22129801
Family Applications (2)
Application Number | Title | Priority Date | Filing Date |
---|---|---|---|
IL13810099A IL138100A0 (en) | 1998-02-26 | 1999-02-26 | Method and apparatus for evaluating molecular similarity |
IL138100A IL138100A (en) | 1998-02-26 | 2000-08-25 | Method for determining a shape space for a set of molecules using minimal metric distances |
Family Applications After (1)
Application Number | Title | Priority Date | Filing Date |
---|---|---|---|
IL138100A IL138100A (en) | 1998-02-26 | 2000-08-25 | Method for determining a shape space for a set of molecules using minimal metric distances |
Country Status (4)
Country | Link |
---|---|
US (1) | US8165818B2 (xx) |
EP (1) | EP1057014B1 (xx) |
IL (2) | IL138100A0 (xx) |
WO (1) | WO1999044055A1 (xx) |
Families Citing this family (5)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
WO2001018627A2 (en) * | 1999-09-06 | 2001-03-15 | National University Of Singapore | Method and apparatus for computer automated detection of protein and nucleic acid targets of a chemical compound |
US7330793B2 (en) * | 2001-04-02 | 2008-02-12 | Cramer Richard D | Method for searching heterogeneous compound databases using topomeric shape descriptors and pharmacophoric features |
GB0810413D0 (en) * | 2008-06-06 | 2008-07-09 | Cambridge Entpr Ltd | Method and system |
US11049035B2 (en) | 2018-05-18 | 2021-06-29 | International Business Machines Corporation | Meta-level short-depth quantum computation of k-eigenpairs |
US11120358B2 (en) | 2018-06-13 | 2021-09-14 | International Business Machines Corporation | Short circuit depth variational quantum computation of Monte Carlo minimization and Nth order moments |
Family Cites Families (8)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
US4855931A (en) * | 1988-03-25 | 1989-08-08 | Yale University | Stochastic method for finding molecular conformations |
US5187796A (en) | 1988-03-29 | 1993-02-16 | Computer Motion, Inc. | Three-dimensional vector co-processor having I, J, and K register files and I, J, and K execution units |
US5025388A (en) * | 1988-08-26 | 1991-06-18 | Cramer Richard D Iii | Comparative molecular field analysis (CoMFA) |
US6081766A (en) * | 1993-05-21 | 2000-06-27 | Axys Pharmaceuticals, Inc. | Machine-learning approach to modeling biological activity for molecular design and to modeling other characteristics |
US5703792A (en) | 1993-05-21 | 1997-12-30 | Arris Pharmaceutical Corporation | Three dimensional measurement of molecular diversity |
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 |
AU1847997A (en) * | 1996-01-26 | 1997-08-20 | Robert D. Clark | Method of creating and searching a molecular virtual library using validated molecular structure descriptors |
JP4001657B2 (ja) | 1997-04-25 | 2007-10-31 | 杏林製薬株式会社 | 化合物分子構造の新規重ね合わせ法 |
-
1999
- 1999-02-26 EP EP99908552A patent/EP1057014B1/en not_active Expired - Lifetime
- 1999-02-26 WO PCT/US1999/004343 patent/WO1999044055A1/en active Application Filing
- 1999-02-26 IL IL13810099A patent/IL138100A0/xx active IP Right Grant
-
2000
- 2000-08-25 IL IL138100A patent/IL138100A/en not_active IP Right Cessation
-
2006
- 2006-03-17 US US11/378,758 patent/US8165818B2/en not_active Expired - Lifetime
Also Published As
Publication number | Publication date |
---|---|
US8165818B2 (en) | 2012-04-24 |
IL138100A (en) | 2008-08-07 |
EP1057014B1 (en) | 2012-06-06 |
EP1057014A1 (en) | 2000-12-06 |
US20060178840A1 (en) | 2006-08-10 |
WO1999044055A1 (en) | 1999-09-02 |
EP1057014A4 (en) | 2006-01-25 |
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Legal Events
Date | Code | Title | Description |
---|---|---|---|
FF | Patent granted | ||
KB | Patent renewed | ||
KB | Patent renewed |