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 compounds

Info

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Withdrawn
Application number
EP02731725A
Other languages
German (de)
French (fr)
Other versions
EP1395808A2 (en
Inventor
Douglas Levinson
Christopher Mcnulty
Christopher Moore
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
Transform Pharmaceuticals Inc
Original Assignee
Transform Pharmaceuticals Inc
Priority date (The priority date 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 date listed.)
Filing date
Publication date
Application filed by Transform Pharmaceuticals Inc filed Critical Transform Pharmaceuticals Inc
Publication of EP1395808A2 publication Critical patent/EP1395808A2/en
Publication of EP1395808A4 publication Critical patent/EP1395808A4/en
Withdrawn legal-status Critical Current

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)
EP02731725A 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 Withdrawn EP1395808A4 (en)

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)

* Cited by examiner, † Cited by third party
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)

* Cited by examiner, † Cited by third party
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)

* Cited by examiner, † Cited by third party
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)

* Cited by examiner, † Cited by third party
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

Patent Citations (1)

* Cited by examiner, † Cited by third party
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)

* Cited by examiner, † Cited by third party
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)

* Cited by examiner, † Cited by third party
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

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Effective date: 20031210

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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

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Effective date: 20090417