AU2001283853A1 - Computer-aided optimization of substance libraries - Google Patents

Computer-aided optimization of substance libraries

Info

Publication number
AU2001283853A1
AU2001283853A1 AU2001283853A AU8385301A AU2001283853A1 AU 2001283853 A1 AU2001283853 A1 AU 2001283853A1 AU 2001283853 A AU2001283853 A AU 2001283853A AU 8385301 A AU8385301 A AU 8385301A AU 2001283853 A1 AU2001283853 A1 AU 2001283853A1
Authority
AU
Australia
Prior art keywords
computer
substance libraries
aided optimization
aided
optimization
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
AU2001283853A
Inventor
Armin Brenner
Dirk Demuth
Jens Klein
John Michael Newsam
Stephan Andreas Schunk
Wolfram Stichert
Wolfgang Strehlau
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.)
HTE GmbH
Original Assignee
HTE GmbH
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 HTE GmbH filed Critical HTE GmbH
Publication of AU2001283853A1 publication Critical patent/AU2001283853A1/en
Abandoned legal-status Critical Current

Links

Classifications

    • 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
    • B01J19/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J19/0046—Sequential or parallel reactions, e.g. for the synthesis of polypeptides or polynucleotides; Apparatus and devices for combinatorial chemistry or for making molecular arrays
    • 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
    • B01J2219/0068—Means for controlling the apparatus of the process
    • B01J2219/00702—Processes involving means for analysing and characterising the products
    • 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
    • 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
    • B01J2219/00745—Inorganic compounds
    • 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
    • B01J2219/00745—Inorganic compounds
    • B01J2219/00747—Catalysts
    • 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
    • B01J2219/00745—Inorganic compounds
    • B01J2219/0075—Metal based compounds
    • B01J2219/00754—Metal oxides
    • C—CHEMISTRY; METALLURGY
    • C40—COMBINATORIAL TECHNOLOGY
    • C40B—COMBINATORIAL CHEMISTRY; LIBRARIES, e.g. CHEMICAL LIBRARIES
    • C40B30/00—Methods of screening libraries
    • C40B30/08—Methods of screening libraries by measuring catalytic activity
    • C—CHEMISTRY; METALLURGY
    • C40—COMBINATORIAL TECHNOLOGY
    • C40B—COMBINATORIAL CHEMISTRY; LIBRARIES, e.g. CHEMICAL LIBRARIES
    • C40B40/00—Libraries per se, e.g. arrays, mixtures
    • C40B40/18—Libraries containing only inorganic compounds or inorganic materials
    • 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
AU2001283853A 2000-06-10 2001-06-11 Computer-aided optimization of substance libraries Abandoned AU2001283853A1 (en)

Applications Claiming Priority (3)

Application Number Priority Date Filing Date Title
DE10028875.8 2000-06-10
DE10028875A DE10028875A1 (en) 2000-06-10 2000-06-10 Automatic formation and iterative optimization of substance library, employs integrated process embracing manufacture, performance testing, and test result analysis
PCT/EP2001/006583 WO2001097152A2 (en) 2000-06-10 2001-06-11 Computer-aided optimization of substance libraries

Publications (1)

Publication Number Publication Date
AU2001283853A1 true AU2001283853A1 (en) 2001-12-24

Family

ID=7645427

Family Applications (1)

Application Number Title Priority Date Filing Date
AU2001283853A Abandoned AU2001283853A1 (en) 2000-06-10 2001-06-11 Computer-aided optimization of substance libraries

Country Status (5)

Country Link
US (1) US6862533B2 (en)
EP (1) EP1312029A2 (en)
AU (1) AU2001283853A1 (en)
DE (1) DE10028875A1 (en)
WO (1) WO2001097152A2 (en)

Families Citing this family (12)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US7085773B2 (en) * 2001-01-05 2006-08-01 Symyx Technologies, Inc. Laboratory database system and methods for combinatorial materials research
HUP0202551A2 (en) * 2002-08-01 2004-03-29 Comgenex, Inc. Chemical biochemical and biological process with chip for minimise and thereof use
US7797353B1 (en) 2002-09-13 2010-09-14 Cadence Design Systems, Inc. Method and system for enhancing software documentation and help systems
DE10253519A1 (en) * 2002-11-16 2004-06-03 Ehrfeld Mikrotechnik Ag Process for determining optimal reaction paths and process conditions for the synthesis of chemical compounds in microreaction systems and for carrying out the synthesis
DE102004010808A1 (en) * 2004-03-05 2005-09-22 Bayer Technology Services Gmbh Method for carrying out high-throughput experiments
US7458064B2 (en) * 2005-04-11 2008-11-25 Microsoft Corporation Methods and apparatus for generating a work item in a bug tracking system
US8788714B2 (en) * 2010-01-29 2014-07-22 Honeywell International Inc. Method for synchronizing execution of multiple processing devices and related system
GB201209239D0 (en) * 2012-05-25 2012-07-04 Univ Glasgow Methods of evolutionary synthesis including embodied chemical synthesis
WO2017214679A1 (en) * 2016-06-15 2017-12-21 Commonwealth Scientific And Industrial Research Organisation Autonomous experimental design system for automated material analysis
WO2021033695A1 (en) * 2019-08-19 2021-02-25 Jsr株式会社 Chemical structure generation device, chemical structure generation program, and chemical structure generation method
CN115427594A (en) * 2020-04-21 2022-12-02 阿洛泰克有限公司 Flexible preparation method and preparation equipment of intermetallic compound
WO2023131726A1 (en) * 2022-01-10 2023-07-13 The University Court Of The University Of Glasgow Autonomous exploration for the synthesis of chemical libraries

Family Cites Families (11)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO1992001933A1 (en) * 1990-07-20 1992-02-06 E.I. Du Pont De Nemours And Company Generation of a complete set of structural coordinates of a molecule from a set of partial coordinates
US5463564A (en) * 1994-09-16 1995-10-31 3-Dimensional Pharmaceuticals, Inc. System and method of automatically generating chemical compounds with desired properties
US5961923A (en) * 1995-04-25 1999-10-05 Irori Matrices with memories and uses thereof
US5880972A (en) * 1996-02-26 1999-03-09 Pharmacopeia, Inc. Method and apparatus for generating and representing combinatorial chemistry libraries
AU751331B2 (en) * 1997-04-11 2002-08-15 California Institute Of Technology Apparatus and method for automated protein design
AU2725099A (en) 1998-02-12 1999-08-30 Basf Aktiengesellschaft Method for the combinatorial production and testing of heterogeneous catalysts
EP1080435B1 (en) 1998-10-19 2002-02-27 Symyx Technologies, Inc. Design of combinatorial material libraries
JP2002532717A (en) * 1998-12-11 2002-10-02 サイミックス テクノロジーズ、インク Sensor array based system and method for rapid material characterization
US6500609B1 (en) * 1999-02-11 2002-12-31 Scynexis Chemistry & Automation, Inc. Method and apparatus for synthesizing characterizing and assaying combinatorial libraries
US6625546B2 (en) * 2000-02-03 2003-09-23 Nanoscale Combinatorial Synthesis, Inc. Structure identification methods using mass measurements
US20020049548A1 (en) * 2000-04-03 2002-04-25 Libraria, Inc. Chemistry resource database

Also Published As

Publication number Publication date
DE10028875A1 (en) 2001-12-20
WO2001097152A2 (en) 2001-12-20
US6862533B2 (en) 2005-03-01
WO2001097152A3 (en) 2003-03-13
WO2001097152A9 (en) 2002-08-08
US20030203400A1 (en) 2003-10-30
EP1312029A2 (en) 2003-05-21

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