AU9358698A - Method of designing chemical substances - Google Patents

Method of designing chemical substances

Info

Publication number
AU9358698A
AU9358698A AU93586/98A AU9358698A AU9358698A AU 9358698 A AU9358698 A AU 9358698A AU 93586/98 A AU93586/98 A AU 93586/98A AU 9358698 A AU9358698 A AU 9358698A AU 9358698 A AU9358698 A AU 9358698A
Authority
AU
Australia
Prior art keywords
chemical substances
designing chemical
designing
substances
chemical
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
Application number
AU93586/98A
Inventor
Valerie Sarah Rose
John Wood
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.)
BIOFOCUS PLC
Original Assignee
BIOFOCUS PLC
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 BIOFOCUS PLC filed Critical BIOFOCUS PLC
Publication of AU9358698A publication Critical patent/AU9358698A/en
Abandoned 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
    • G16C20/60—In silico combinatorial chemistry
    • 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
    • G16C20/64—Screening of libraries

Landscapes

  • Chemical & Material Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Health & Medical Sciences (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Theoretical Computer Science (AREA)
  • General Health & Medical Sciences (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Computing Systems (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Medicinal Chemistry (AREA)
  • Library & Information Science (AREA)
  • Physics & Mathematics (AREA)
  • Biochemistry (AREA)
  • Biophysics (AREA)
  • Molecular Biology (AREA)
  • Biotechnology (AREA)
  • Evolutionary Biology (AREA)
  • Medical Informatics (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Information Retrieval, Db Structures And Fs Structures Therefor (AREA)
AU93586/98A 1997-11-24 1998-10-08 Method of designing chemical substances Abandoned AU9358698A (en)

Applications Claiming Priority (3)

Application Number Priority Date Filing Date Title
GBGB9724784.5A GB9724784D0 (en) 1997-11-24 1997-11-24 Method of designing chemical substances
GB9724784 1997-11-24
PCT/GB1998/003017 WO1999026901A1 (en) 1997-11-24 1998-10-08 Method of designing chemical substances

Publications (1)

Publication Number Publication Date
AU9358698A true AU9358698A (en) 1999-06-15

Family

ID=10822540

Family Applications (1)

Application Number Title Priority Date Filing Date
AU93586/98A Abandoned AU9358698A (en) 1997-11-24 1998-10-08 Method of designing chemical substances

Country Status (4)

Country Link
EP (1) EP1034153A1 (en)
AU (1) AU9358698A (en)
GB (1) GB9724784D0 (en)
WO (1) WO1999026901A1 (en)

Families Citing this family (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
DE60229788D1 (en) 2002-03-26 2008-12-18 Council Scient Ind Res METHOD AND SYSTEM FOR CREATING OPTIMAL MODELS FOR THREE DIMENSIONAL, MOLECULAR STRUCTURES
CN111051876B (en) * 2017-09-06 2023-05-09 株式会社半导体能源研究所 Physical property prediction method and physical property prediction system

Family Cites Families (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5463564A (en) * 1994-09-16 1995-10-31 3-Dimensional Pharmaceuticals, Inc. System and method of automatically generating chemical compounds with desired properties
US5712171A (en) * 1995-01-20 1998-01-27 Arqule, Inc. Method of generating a plurality of chemical compounds in a spatially arranged array

Also Published As

Publication number Publication date
GB9724784D0 (en) 1998-01-21
WO1999026901A1 (en) 1999-06-03
EP1034153A1 (en) 2000-09-13

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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