AU2002219924A1 - Analyzing molecular diversity by total pharmacophore diversity - Google Patents

Analyzing molecular diversity by total pharmacophore diversity

Info

Publication number
AU2002219924A1
AU2002219924A1 AU2002219924A AU1992402A AU2002219924A1 AU 2002219924 A1 AU2002219924 A1 AU 2002219924A1 AU 2002219924 A AU2002219924 A AU 2002219924A AU 1992402 A AU1992402 A AU 1992402A AU 2002219924 A1 AU2002219924 A1 AU 2002219924A1
Authority
AU
Australia
Prior art keywords
diversity
total
pharmacophore
analyzing molecular
analyzing
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
AU2002219924A
Inventor
Gergely M. Makara
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.)
Neogenesis Pharmaceuticals Inc
Original Assignee
Neogenesis 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 Neogenesis Pharmaceuticals Inc filed Critical Neogenesis Pharmaceuticals Inc
Publication of AU2002219924A1 publication Critical patent/AU2002219924A1/en
Abandoned legal-status Critical Current

Links

Classifications

    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N33/00—Investigating or analysing materials by specific methods not covered by groups G01N1/00 - G01N31/00
    • G01N33/48—Biological material, e.g. blood, urine; Haemocytometers
    • G01N33/50—Chemical analysis of biological material, e.g. blood, urine; Testing involving biospecific ligand binding methods; Immunological testing
    • G01N33/68—Chemical analysis of biological material, e.g. blood, urine; Testing involving biospecific ligand binding methods; Immunological testing involving proteins, peptides or amino acids
    • G01N33/6803—General methods of protein analysis not limited to specific proteins or families of proteins
    • 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
    • G16C20/50—Molecular design, e.g. of drugs
    • 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
    • G16C20/40—Searching chemical structures or physicochemical data
    • 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

  • Life Sciences & Earth Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Chemical & Material Sciences (AREA)
  • Physics & Mathematics (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Molecular Biology (AREA)
  • Medicinal Chemistry (AREA)
  • Urology & Nephrology (AREA)
  • Immunology (AREA)
  • General Health & Medical Sciences (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Hematology (AREA)
  • Biomedical Technology (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • Theoretical Computer Science (AREA)
  • Biotechnology (AREA)
  • Cell Biology (AREA)
  • Computing Systems (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Microbiology (AREA)
  • Biophysics (AREA)
  • Food Science & Technology (AREA)
  • Analytical Chemistry (AREA)
  • Biochemistry (AREA)
  • General Physics & Mathematics (AREA)
  • Pathology (AREA)
  • Information Retrieval, Db Structures And Fs Structures Therefor (AREA)
  • Measurement Of The Respiration, Hearing Ability, Form, And Blood Characteristics Of Living Organisms (AREA)
AU2002219924A 2000-11-29 2001-11-28 Analyzing molecular diversity by total pharmacophore diversity Abandoned AU2002219924A1 (en)

Applications Claiming Priority (3)

Application Number Priority Date Filing Date Title
US25383500P 2000-11-29 2000-11-29
US60/253,835 2000-11-29
PCT/US2001/044659 WO2002044688A2 (en) 2000-11-29 2001-11-28 Analyzing molecular diversity by total pharmacophore diversity

Publications (1)

Publication Number Publication Date
AU2002219924A1 true AU2002219924A1 (en) 2002-06-11

Family

ID=22961900

Family Applications (1)

Application Number Title Priority Date Filing Date
AU2002219924A Abandoned AU2002219924A1 (en) 2000-11-29 2001-11-28 Analyzing molecular diversity by total pharmacophore diversity

Country Status (5)

Country Link
US (1) US20020065608A1 (en)
EP (1) EP1337856A2 (en)
AU (1) AU2002219924A1 (en)
CA (1) CA2430476A1 (en)
WO (1) WO2002044688A2 (en)

Families Citing this family (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CN118197481A (en) * 2018-09-13 2024-06-14 思科利康有限公司 Method and system for predicting chemical structure properties

Family Cites Families (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
EP0918296A1 (en) * 1997-11-04 1999-05-26 Cerep Method of virtual retrieval of analogs of lead compounds by constituting potential libraries

Also Published As

Publication number Publication date
CA2430476A1 (en) 2002-06-06
EP1337856A2 (en) 2003-08-27
WO2002044688A3 (en) 2002-08-15
US20020065608A1 (en) 2002-05-30
WO2002044688A2 (en) 2002-06-06

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