AU2003217696A1 - Method and apparatus for generating chemical reaction transforms - Google Patents

Method and apparatus for generating chemical reaction transforms

Info

Publication number
AU2003217696A1
AU2003217696A1 AU2003217696A AU2003217696A AU2003217696A1 AU 2003217696 A1 AU2003217696 A1 AU 2003217696A1 AU 2003217696 A AU2003217696 A AU 2003217696A AU 2003217696 A AU2003217696 A AU 2003217696A AU 2003217696 A1 AU2003217696 A1 AU 2003217696A1
Authority
AU
Australia
Prior art keywords
chemical reaction
generating chemical
reaction transforms
transforms
generating
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
AU2003217696A
Other versions
AU2003217696A8 (en
Inventor
Sanjiv Kumar Jha
Steve M. Muskal
Stephan C. Schurer
Prashant Tyagi
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.)
Libraria Inc
Original Assignee
Libraria 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 Libraria Inc filed Critical Libraria Inc
Publication of AU2003217696A8 publication Critical patent/AU2003217696A8/en
Publication of AU2003217696A1 publication Critical patent/AU2003217696A1/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
    • G16C20/10—Analysis or design of chemical reactions, syntheses or processes
    • 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

Landscapes

  • Chemical & Material Sciences (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Computing Systems (AREA)
  • Theoretical Computer Science (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Analytical Chemistry (AREA)
  • Chemical Kinetics & Catalysis (AREA)
  • General Health & Medical Sciences (AREA)
  • Medicinal Chemistry (AREA)
  • Health & Medical Sciences (AREA)
  • Information Retrieval, Db Structures And Fs Structures Therefor (AREA)
  • Organic Low-Molecular-Weight Compounds And Preparation Thereof (AREA)
  • Catalysts (AREA)
AU2003217696A 2002-02-22 2003-02-24 Method and apparatus for generating chemical reaction transforms Abandoned AU2003217696A1 (en)

Applications Claiming Priority (3)

Application Number Priority Date Filing Date Title
US35964302P 2002-02-22 2002-02-22
US60/359,643 2002-02-22
PCT/US2003/005599 WO2003073355A2 (en) 2002-02-22 2003-02-24 Method and apparatus for generating chemical reaction transforms

Publications (2)

Publication Number Publication Date
AU2003217696A8 AU2003217696A8 (en) 2003-09-09
AU2003217696A1 true AU2003217696A1 (en) 2003-09-09

Family

ID=27766117

Family Applications (1)

Application Number Title Priority Date Filing Date
AU2003217696A Abandoned AU2003217696A1 (en) 2002-02-22 2003-02-24 Method and apparatus for generating chemical reaction transforms

Country Status (3)

Country Link
US (1) US20030229477A1 (en)
AU (1) AU2003217696A1 (en)
WO (1) WO2003073355A2 (en)

Families Citing this family (7)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
GB0203542D0 (en) * 2002-02-14 2002-04-03 Merck Sharp & Dohme Classification and searching methods
US20050159900A1 (en) * 2003-11-21 2005-07-21 Pearlman Robert S. System and method for identifying structures for a chemical compound
US10332619B2 (en) 2014-10-13 2019-06-25 Samsung Electronics Co., Ltd. Methods and apparatus for in silico prediction of chemical reactions
US20200370204A1 (en) * 2019-05-21 2020-11-26 The Regents Of The University Of Michigan Property modulation with chemical transformations
CN110379468B (en) * 2019-07-17 2022-08-23 成都火石创造科技有限公司 Improved chemical molecular formula segmentation method
CN115497571A (en) * 2021-06-17 2022-12-20 武汉智化科技有限公司 Data cleaning method and device, storage medium and electronic equipment
CN118538308B (en) * 2024-07-12 2024-11-22 碳氢数科(成都)信息技术有限公司 Chemical reaction data mining method, system, storage medium and terminal

Family Cites Families (4)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US20020049548A1 (en) * 2000-04-03 2002-04-25 Libraria, Inc. Chemistry resource database
US20020077757A1 (en) * 2000-04-03 2002-06-20 Libraria, Inc. Chemistry resource database
AU2001292740A1 (en) * 2000-09-20 2002-04-02 Dimitris K. Agrafiotis Method, system, and computer program product for encoding and building products of a virtual combinatorial library
US20030087334A1 (en) * 2001-04-02 2003-05-08 Libraria, Inc. Method of flexibly generating diverse reaction chemistries

Also Published As

Publication number Publication date
AU2003217696A8 (en) 2003-09-09
WO2003073355A2 (en) 2003-09-04
US20030229477A1 (en) 2003-12-11
WO2003073355A3 (en) 2005-06-09

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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