EP1395808A4 - Method and system for planning, performing, and assessing high-throughput screening of multicomponent chemical compositions and solid forms of compounds - Google Patents
Method and system for planning, performing, and assessing high-throughput screening of multicomponent chemical compositions and solid forms of compoundsInfo
- Publication number
- EP1395808A4 EP1395808A4 EP02731725A EP02731725A EP1395808A4 EP 1395808 A4 EP1395808 A4 EP 1395808A4 EP 02731725 A EP02731725 A EP 02731725A EP 02731725 A EP02731725 A EP 02731725A EP 1395808 A4 EP1395808 A4 EP 1395808A4
- Authority
- EP
- European Patent Office
- Prior art keywords
- planning
- compounds
- throughput screening
- solid forms
- chemical compositions
- 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.)
- Withdrawn
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
- Chemical & Material Sciences (AREA)
- Engineering & Computer Science (AREA)
- Crystallography & Structural Chemistry (AREA)
- Life Sciences & Earth Sciences (AREA)
- Bioinformatics & Cheminformatics (AREA)
- Bioinformatics & Computational Biology (AREA)
- Computing Systems (AREA)
- Theoretical Computer Science (AREA)
- Health & Medical Sciences (AREA)
- General Health & Medical Sciences (AREA)
- Medicinal Chemistry (AREA)
- Library & Information Science (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 | |
US290320P | 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 (2)
Publication Number | Publication Date |
---|---|
EP1395808A2 EP1395808A2 (en) | 2004-03-10 |
EP1395808A4 true EP1395808A4 (en) | 2007-01-03 |
Family
ID=23115464
Family Applications (1)
Application Number | Title | Priority Date | Filing Date |
---|---|---|---|
EP02731725A Withdrawn EP1395808A4 (en) | 2001-05-11 | 2002-05-10 | Method and system for planning, performing, and assessing high-throughput screening of multicomponent chemical compositions and solid forms of 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) |
Cited By (1)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
CN107357966A (en) * | 2017-06-21 | 2017-11-17 | 山东科技大学 | A kind of surrounding rock of actual mining roadway stability prediction and appraisal procedure |
Families Citing this family (8)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
US20040252299A9 (en) | 2000-01-07 | 2004-12-16 | Lemmo Anthony V. | Apparatus and method for high-throughput preparation and spectroscopic classification and characterization of compositions |
JP6133789B2 (en) * | 2011-02-14 | 2017-05-24 | カーネギー メロン ユニバーシティ | Machine learning based method, machine readable medium and electronic system for predicting the effect of a compound on an object |
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 |
CN112154174B (en) * | 2018-05-22 | 2024-02-06 | 埃克森美孚化学专利公司 | Method of forming a film and related computing device |
CN109142574B (en) * | 2018-08-29 | 2021-05-18 | 广东药科大学 | SVR-based method for researching material basis of radix puerariae, radix scutellariae and coptis decoction for improving insulin resistance |
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 |
Citations (1)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
WO2002077772A2 (en) * | 2001-03-23 | 2002-10-03 | Transform Pharmaceuticals, Inc. | Method and system for high-throughput screening |
Family Cites Families (4)
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) |
US6460014B1 (en) * | 1997-09-05 | 2002-10-01 | Accelrys 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 |
-
2002
- 2002-05-10 CA CA002447047A patent/CA2447047A1/en not_active Abandoned
- 2002-05-10 EP EP02731725A patent/EP1395808A4/en not_active Withdrawn
- 2002-05-10 IL IL15878702A patent/IL158787A0/en unknown
- 2002-05-10 WO PCT/US2002/014601 patent/WO2002093297A2/en not_active Application Discontinuation
- 2002-05-10 AU AU2002303683A patent/AU2002303683A1/en not_active Abandoned
Patent Citations (1)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
WO2002077772A2 (en) * | 2001-03-23 | 2002-10-03 | Transform Pharmaceuticals, Inc. | Method and system for high-throughput screening |
Non-Patent Citations (3)
Title |
---|
APOSTOLAKIS J ET AL: "COMPUTATIONAL LIGAND DESIGN", COMBINATORIAL CHEMISTRY AND HIGH THROUGHPUT SCREENING, HILVERSUM, NL, vol. 2, no. 2, April 1999 (1999-04-01), pages 91 - 104, XP008023728, ISSN: 1386-2073 * |
COX B ET AL: "APPLICATION OF HIGH-THROUGHPUT SCREENING TECHNIQUES TO DRUG DISCOVERY", PROGRESS IN MEDICINAL CHEMISTRY, ELSEVIER, AMSTERDAM, NL, vol. 37, 2000, pages 83 - 133, XP000941190, ISSN: 0079-6468 * |
OPREA T I ET AL: "Chemical information management in drug discovery: Optimizing the computational and combinatorial chemistry interfaces", JOURNAL OF MOLECULAR GRAPHICS AND MODELLING, ELSEVIER SCIENCE, NEW YORK, NY, US, vol. 18, no. 4-5, August 2000 (2000-08-01), pages 512 - 524, XP004801429, ISSN: 1093-3263 * |
Cited By (1)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
CN107357966A (en) * | 2017-06-21 | 2017-11-17 | 山东科技大学 | A kind of surrounding rock of actual mining roadway stability prediction and appraisal procedure |
Also Published As
Publication number | Publication date |
---|---|
EP1395808A2 (en) | 2004-03-10 |
CA2447047A1 (en) | 2002-11-21 |
WO2002093297A3 (en) | 2003-09-25 |
IL158787A0 (en) | 2004-05-12 |
WO2002093297A2 (en) | 2002-11-21 |
AU2002303683A1 (en) | 2002-11-25 |
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Legal Events
Date | Code | Title | Description |
---|---|---|---|
PUAI | Public reference made under article 153(3) epc to a published international application that has entered the european phase |
Free format text: ORIGINAL CODE: 0009012 |
|
17P | Request for examination filed |
Effective date: 20031210 |
|
AK | Designated contracting states |
Kind code of ref document: A2 Designated state(s): AT BE CH CY DE DK ES FI FR GB GR IE IT LI LU MC NL PT SE TR |
|
AX | Request for extension of the european patent |
Extension state: AL LT LV MK RO SI |
|
RIC1 | Information provided on ipc code assigned before grant |
Ipc: G01N 13/10 20060101ALI20060801BHEP Ipc: G06F 19/00 20060101AFI20060801BHEP |
|
A4 | Supplementary search report drawn up and despatched |
Effective date: 20061130 |
|
STAA | Information on the status of an ep patent application or granted ep patent |
Free format text: STATUS: THE APPLICATION HAS BEEN WITHDRAWN |
|
18W | Application withdrawn |
Effective date: 20090417 |