AU2001283990A1 - Focussing of compound libraries according to biological activities or properties - Google Patents

Focussing of compound libraries according to biological activities or properties

Info

Publication number
AU2001283990A1
AU2001283990A1 AU2001283990A AU8399001A AU2001283990A1 AU 2001283990 A1 AU2001283990 A1 AU 2001283990A1 AU 2001283990 A AU2001283990 A AU 2001283990A AU 8399001 A AU8399001 A AU 8399001A AU 2001283990 A1 AU2001283990 A1 AU 2001283990A1
Authority
AU
Australia
Prior art keywords
focussing
properties
biological activities
compound libraries
libraries according
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
AU2001283990A
Inventor
Ulrich Rester
Gisbert Schneider
Li-Hsing Wang
Paul Wrede
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.)
CALLISTOGEN AG
Original Assignee
CALLISTOGEN AG
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 CALLISTOGEN AG filed Critical CALLISTOGEN AG
Publication of AU2001283990A1 publication Critical patent/AU2001283990A1/en
Abandoned legal-status Critical Current

Links

Classifications

    • 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
    • G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
    • 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
    • G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
    • G16B15/30—Drug targeting using structural data; Docking or binding prediction
    • 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
    • G16B20/00—ICT specially adapted for functional genomics or proteomics, e.g. genotype-phenotype associations
    • 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
    • G16C20/60—In silico combinatorial chemistry
    • G16C20/64—Screening of libraries

Landscapes

  • Engineering & Computer Science (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Chemical & Material Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Physics & Mathematics (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Theoretical Computer Science (AREA)
  • General Health & Medical Sciences (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Biotechnology (AREA)
  • Biophysics (AREA)
  • Evolutionary Biology (AREA)
  • Medical Informatics (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Medicinal Chemistry (AREA)
  • Molecular Biology (AREA)
  • Computing Systems (AREA)
  • Library & Information Science (AREA)
  • Analytical Chemistry (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • Genetics & Genomics (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Biochemistry (AREA)
  • Steroid Compounds (AREA)
  • Investigating Or Analysing Biological Materials (AREA)
AU2001283990A 2000-08-08 2001-08-07 Focussing of compound libraries according to biological activities or properties Abandoned AU2001283990A1 (en)

Applications Claiming Priority (3)

Application Number Priority Date Filing Date Title
US63458600A 2000-08-08 2000-08-08
US09/634,586 2000-08-08
PCT/EP2001/009137 WO2002012889A2 (en) 2000-08-08 2001-08-07 Focussing of compound libraries according to biological activities or properties

Publications (1)

Publication Number Publication Date
AU2001283990A1 true AU2001283990A1 (en) 2002-02-18

Family

ID=24544406

Family Applications (1)

Application Number Title Priority Date Filing Date
AU2001283990A Abandoned AU2001283990A1 (en) 2000-08-08 2001-08-07 Focussing of compound libraries according to biological activities or properties

Country Status (2)

Country Link
AU (1) AU2001283990A1 (en)
WO (1) WO2002012889A2 (en)

Families Citing this family (3)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO2005026720A1 (en) * 2003-09-04 2005-03-24 Parivid Llc Methods and apparatus for characterizing polymeric mixtures
KR101684742B1 (en) * 2014-11-27 2016-12-09 이화여자대학교 산학협력단 Method and system for drug virtual screening and construction of focused screening library
CN107862173B (en) * 2017-11-15 2021-04-27 南京邮电大学 Virtual screening method and device for lead compound

Family Cites Families (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
EP1153358A2 (en) * 1998-10-28 2001-11-14 Glaxo Group Limited Pharmacophore fingerprinting in qsar and primary library design

Also Published As

Publication number Publication date
WO2002012889A2 (en) 2002-02-14
WO2002012889A3 (en) 2004-10-28

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