AU2002303683A1 - Methods for high-throughput screening and computer modelling of pharmaceutical compounds - Google Patents
Methods for high-throughput screening and computer modelling of pharmaceutical compoundsInfo
- Publication number
- AU2002303683A1 AU2002303683A1 AU2002303683A AU2002303683A AU2002303683A1 AU 2002303683 A1 AU2002303683 A1 AU 2002303683A1 AU 2002303683 A AU2002303683 A AU 2002303683A AU 2002303683 A AU2002303683 A AU 2002303683A AU 2002303683 A1 AU2002303683 A1 AU 2002303683A1
- Authority
- AU
- Australia
- Prior art keywords
- methods
- throughput screening
- pharmaceutical compounds
- computer modelling
- modelling
- 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
-
- 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
- G16C20/60—In silico combinatorial chemistry
-
- 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
- G16C20/70—Machine learning, data mining or chemometrics
Landscapes
- Engineering & Computer Science (AREA)
- Chemical & Material Sciences (AREA)
- Computing Systems (AREA)
- Life Sciences & Earth Sciences (AREA)
- Bioinformatics & Cheminformatics (AREA)
- Bioinformatics & Computational Biology (AREA)
- Crystallography & Structural Chemistry (AREA)
- Theoretical Computer Science (AREA)
- Library & Information Science (AREA)
- Health & Medical Sciences (AREA)
- General Health & Medical Sciences (AREA)
- Medicinal Chemistry (AREA)
- Medicinal Preparation (AREA)
- Analysing Materials By The Use Of Radiation (AREA)
Applications Claiming Priority (3)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| US29032001P | 2001-05-11 | 2001-05-11 | |
| US60/290,320 | 2001-05-11 | ||
| PCT/US2002/014601 WO2002093297A2 (en) | 2001-05-11 | 2002-05-10 | Methods for high-throughput screening and computer modelling of pharmaceutical compounds |
Publications (1)
| Publication Number | Publication Date |
|---|---|
| AU2002303683A1 true AU2002303683A1 (en) | 2002-11-25 |
Family
ID=23115464
Family Applications (1)
| Application Number | Title | Priority Date | Filing Date |
|---|---|---|---|
| AU2002303683A Abandoned AU2002303683A1 (en) | 2001-05-11 | 2002-05-10 | Methods for high-throughput screening and computer modelling of pharmaceutical compounds |
Country Status (5)
| Country | Link |
|---|---|
| EP (1) | EP1395808A4 (en) |
| AU (1) | AU2002303683A1 (en) |
| CA (1) | CA2447047A1 (en) |
| IL (1) | IL158787A0 (en) |
| WO (1) | WO2002093297A2 (en) |
Families Citing this family (10)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| US6977723B2 (en) | 2000-01-07 | 2005-12-20 | Transform Pharmaceuticals, Inc. | Apparatus and method for high-throughput preparation and spectroscopic classification and characterization of compositions |
| CA2826894A1 (en) * | 2011-02-14 | 2012-08-23 | Carnegie Mellon University | Learning to predict effects of compounds on targets |
| GB2554334A (en) * | 2016-05-17 | 2018-04-04 | Tap Biosystems Phc Ltd | Automated bioprocess development |
| CN106897331B (en) * | 2016-06-07 | 2020-09-11 | 阿里巴巴集团控股有限公司 | User key position data acquisition method and device |
| CN107357966B (en) * | 2017-06-21 | 2020-07-03 | 山东科技大学 | An evaluation method for predicting the stability of surrounding rock in a mining roadway |
| WO2019226766A1 (en) * | 2018-05-22 | 2019-11-28 | Exxonmobil Chemical Patents Inc. | Methods for forming films and their related computing devices |
| CN109142574B (en) * | 2018-08-29 | 2021-05-18 | 广东药科大学 | Method for studying the material basis of Gegen Qinlian Decoction to improve insulin resistance based on SVR |
| WO2022164688A1 (en) * | 2021-01-26 | 2022-08-04 | Citrine Informatics, Inc. | Two-stage sampling for accelerated deformulation generation |
| CN113963756B (en) * | 2021-05-18 | 2022-10-11 | 杭州剂泰医药科技有限责任公司 | Platform and method for developing prescription of pharmaceutical preparation |
| WO2024169984A1 (en) * | 2023-02-17 | 2024-08-22 | Basf Se | Method for determining burning properties of a polymer |
Family Cites Families (5)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| US5705333A (en) * | 1994-08-05 | 1998-01-06 | The Regents Of The University Of California | Peptide-based nucleic acid mimics(PENAMS) |
| AU9378098A (en) * | 1997-09-05 | 1999-03-22 | Molecular Simulations, Inc. | Modeling interactions with atomic parameters including anisotropic dipole polarizability |
| US20020061599A1 (en) * | 1999-12-30 | 2002-05-23 | Elling Christian E. | Method of identifying ligands of biological target molecules |
| US6907350B2 (en) * | 2000-03-13 | 2005-06-14 | Chugai Seiyaku Kabushiki Kaisha | Method, system and apparatus for handling information on chemical substances |
| CA2441931A1 (en) * | 2001-03-23 | 2002-10-03 | Douglas A. Levinson | Method and system for high-throughput screening |
-
2002
- 2002-05-10 EP EP02731725A patent/EP1395808A4/en not_active Withdrawn
- 2002-05-10 AU AU2002303683A patent/AU2002303683A1/en not_active Abandoned
- 2002-05-10 WO PCT/US2002/014601 patent/WO2002093297A2/en not_active Ceased
- 2002-05-10 IL IL15878702A patent/IL158787A0/en unknown
- 2002-05-10 CA CA002447047A patent/CA2447047A1/en not_active Abandoned
Also Published As
| Publication number | Publication date |
|---|---|
| EP1395808A4 (en) | 2007-01-03 |
| EP1395808A2 (en) | 2004-03-10 |
| IL158787A0 (en) | 2004-05-12 |
| WO2002093297A3 (en) | 2003-09-25 |
| CA2447047A1 (en) | 2002-11-21 |
| WO2002093297A2 (en) | 2002-11-21 |
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Legal Events
| Date | Code | Title | Description |
|---|---|---|---|
| MK6 | Application lapsed section 142(2)(f)/reg. 8.3(3) - pct applic. not entering national phase |