AU6225499A - A system for the classification and generation of chemical compounds - Google Patents
A system for the classification and generation of chemical compoundsInfo
- Publication number
- AU6225499A AU6225499A AU62254/99A AU6225499A AU6225499A AU 6225499 A AU6225499 A AU 6225499A AU 62254/99 A AU62254/99 A AU 62254/99A AU 6225499 A AU6225499 A AU 6225499A AU 6225499 A AU6225499 A AU 6225499A
- Authority
- AU
- Australia
- Prior art keywords
- classification
- generation
- chemical compounds
- compounds
- 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
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
- G16C20/70—Machine learning, data mining or chemometrics
-
- 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
-
- B—PERFORMING OPERATIONS; TRANSPORTING
- B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
- B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
- B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
- B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
- B01J2219/0068—Means for controlling the apparatus of the process
- B01J2219/00686—Automatic
- B01J2219/00689—Automatic using computers
-
- B—PERFORMING OPERATIONS; TRANSPORTING
- B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
- B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
- B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
- B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
- B01J2219/0068—Means for controlling the apparatus of the process
- B01J2219/00695—Synthesis control routines, e.g. using computer programs
-
- B—PERFORMING OPERATIONS; TRANSPORTING
- B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
- B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
- B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
- B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
- B01J2219/0068—Means for controlling the apparatus of the process
- B01J2219/007—Simulation or vitual synthesis
-
- B—PERFORMING OPERATIONS; TRANSPORTING
- B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
- B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
- B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
- B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
- B01J2219/00718—Type of compounds synthesised
- B01J2219/0072—Organic compounds
Landscapes
- Engineering & Computer Science (AREA)
- Chemical & Material Sciences (AREA)
- Life Sciences & Earth Sciences (AREA)
- Health & Medical Sciences (AREA)
- Bioinformatics & Computational Biology (AREA)
- General Health & Medical Sciences (AREA)
- Bioinformatics & Cheminformatics (AREA)
- Theoretical Computer Science (AREA)
- Crystallography & Structural Chemistry (AREA)
- Computing Systems (AREA)
- Medicinal Chemistry (AREA)
- Library & Information Science (AREA)
- Physics & Mathematics (AREA)
- Medical Informatics (AREA)
- Biophysics (AREA)
- Molecular Biology (AREA)
- Biotechnology (AREA)
- Evolutionary Biology (AREA)
- Biochemistry (AREA)
- Spectroscopy & Molecular Physics (AREA)
- Artificial Intelligence (AREA)
- Computer Vision & Pattern Recognition (AREA)
- Data Mining & Analysis (AREA)
- Databases & Information Systems (AREA)
- Evolutionary Computation (AREA)
- Software Systems (AREA)
- Information Retrieval, Db Structures And Fs Structures Therefor (AREA)
- Organic Low-Molecular-Weight Compounds And Preparation Thereof (AREA)
Applications Claiming Priority (3)
Application Number | Priority Date | Filing Date | Title |
---|---|---|---|
US16792598A | 1998-10-05 | 1998-10-05 | |
US09167925 | 1998-10-05 | ||
PCT/IB1999/001756 WO2000020991A1 (en) | 1998-10-05 | 1999-10-05 | A system for the classification and generation of chemical compounds |
Publications (1)
Publication Number | Publication Date |
---|---|
AU6225499A true AU6225499A (en) | 2000-04-26 |
Family
ID=22609385
Family Applications (1)
Application Number | Title | Priority Date | Filing Date |
---|---|---|---|
AU62254/99A Abandoned AU6225499A (en) | 1998-10-05 | 1999-10-05 | A system for the classification and generation of chemical compounds |
Country Status (6)
Country | Link |
---|---|
EP (1) | EP1119818A1 (en) |
JP (1) | JP2002526863A (en) |
AU (1) | AU6225499A (en) |
CA (1) | CA2346013A1 (en) |
MX (1) | MXPA01003448A (en) |
WO (1) | WO2000020991A1 (en) |
Families Citing this family (5)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
WO2001085334A2 (en) * | 2000-05-09 | 2001-11-15 | Pharmacia & Upjohn | Chemical structure identification |
CA2546567A1 (en) * | 2003-11-21 | 2005-06-09 | Optive Research, Inc. | Method for providing a canonical structural representation |
JP5075362B2 (en) * | 2005-07-05 | 2012-11-21 | 智久 石川 | Method for quantitative prediction of physiological activity of compounds |
WO2017161250A1 (en) * | 2016-03-17 | 2017-09-21 | Elsevier, Inc. | Systems and methods for electronic searching of materials and material properties |
JP2019185506A (en) * | 2018-04-13 | 2019-10-24 | 株式会社中村超硬 | Flow synthesis device and flow synthesis method |
-
1999
- 1999-10-05 MX MXPA01003448A patent/MXPA01003448A/en unknown
- 1999-10-05 EP EP99949293A patent/EP1119818A1/en not_active Withdrawn
- 1999-10-05 CA CA002346013A patent/CA2346013A1/en not_active Abandoned
- 1999-10-05 AU AU62254/99A patent/AU6225499A/en not_active Abandoned
- 1999-10-05 JP JP2000575046A patent/JP2002526863A/en active Pending
- 1999-10-05 WO PCT/IB1999/001756 patent/WO2000020991A1/en not_active Application Discontinuation
Also Published As
Publication number | Publication date |
---|---|
JP2002526863A (en) | 2002-08-20 |
WO2000020991A1 (en) | 2000-04-13 |
EP1119818A1 (en) | 2001-08-01 |
CA2346013A1 (en) | 2000-04-13 |
MXPA01003448A (en) | 2002-09-18 |
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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 |