AU7398796A - Identification of common chemical activity through comparison of substructural fragments - Google Patents
Identification of common chemical activity through comparison of substructural fragmentsInfo
- Publication number
- AU7398796A AU7398796A AU73987/96A AU7398796A AU7398796A AU 7398796 A AU7398796 A AU 7398796A AU 73987/96 A AU73987/96 A AU 73987/96A AU 7398796 A AU7398796 A AU 7398796A AU 7398796 A AU7398796 A AU 7398796A
- Authority
- AU
- Australia
- Prior art keywords
- substructural
- fragments
- identification
- comparison
- chemical activity
- 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.)
- Abandoned
Links
Classifications
-
- B—PERFORMING OPERATIONS; TRANSPORTING
- B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
- B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
- B01J19/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
-
- 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
- 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
- G16C20/90—Programming languages; Computing architectures; Database systems; Data warehousing
Applications Claiming Priority (5)
Application Number | Priority Date | Filing Date | Title |
---|---|---|---|
US550847 | 1975-02-18 | ||
US54264295A | 1995-10-13 | 1995-10-13 | |
US542642 | 1995-10-13 | ||
US55084795A | 1995-10-31 | 1995-10-31 | |
PCT/US1996/016196 WO1997014106A1 (en) | 1995-10-13 | 1996-10-10 | Identification of common chemical activity through comparison of substructural fragments |
Publications (1)
Publication Number | Publication Date |
---|---|
AU7398796A true AU7398796A (en) | 1997-04-30 |
Family
ID=27067105
Family Applications (1)
Application Number | Title | Priority Date | Filing Date |
---|---|---|---|
AU73987/96A Abandoned AU7398796A (en) | 1995-10-13 | 1996-10-10 | Identification of common chemical activity through comparison of substructural fragments |
Country Status (2)
Country | Link |
---|---|
AU (1) | AU7398796A (en) |
WO (1) | WO1997014106A1 (en) |
Families Citing this family (9)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
US5751605A (en) * | 1996-08-15 | 1998-05-12 | Tripos, Inc. | Molecular hologram QSAR |
CA2286549A1 (en) * | 1997-04-17 | 1998-10-22 | Glaxo Group Limited | Statistical deconvoluting of mixtures |
US20010056329A1 (en) * | 1997-06-24 | 2001-12-27 | Andrew S. Smellie | Method and apparatus for conformationally analyzing molecular fragments |
GB9800462D0 (en) * | 1998-01-09 | 1998-03-04 | Everett Richard S H | Apparatus and method for use in the manufacture of chemical compounds |
AU3983799A (en) * | 1998-05-12 | 1999-11-29 | Isis Pharmaceuticals, Inc. | Generation of combinatorial libraries of compounds corresponding to virtual libraries of compounds |
AU6505600A (en) * | 1999-08-03 | 2001-02-19 | Paradigm Genetics, Inc. | Methodology for identifying plants and other organisms having traits differing from a normal population |
DE10108590A1 (en) * | 2001-02-22 | 2002-09-05 | Merck Patent Gmbh | Method for determining pharmaceutically active substances |
WO2005091169A1 (en) * | 2004-03-05 | 2005-09-29 | Applied Research Systems Ars Holding N.V. | Method for fast substructure searching in non-enumerated chemical libraries |
WO2007112110A2 (en) * | 2006-03-24 | 2007-10-04 | Cramer Richard D | Forward synthetic synthon generation and its use to identify molecules similar in 3 dimensional shape to pharmaceutical lead compounds |
Family Cites Families (1)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
EP0496902A1 (en) * | 1991-01-26 | 1992-08-05 | International Business Machines Corporation | Knowledge-based molecular retrieval system and method |
-
1996
- 1996-10-10 WO PCT/US1996/016196 patent/WO1997014106A1/en active Application Filing
- 1996-10-10 AU AU73987/96A patent/AU7398796A/en not_active Abandoned
Also Published As
Publication number | Publication date |
---|---|
WO1997014106A1 (en) | 1997-04-17 |
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