WO2005059779A3 - Indexing scheme for formulation workflows - Google Patents

Indexing scheme for formulation workflows Download PDF

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Publication number
WO2005059779A3
WO2005059779A3 PCT/US2004/042721 US2004042721W WO2005059779A3 WO 2005059779 A3 WO2005059779 A3 WO 2005059779A3 US 2004042721 W US2004042721 W US 2004042721W WO 2005059779 A3 WO2005059779 A3 WO 2005059779A3
Authority
WO
WIPO (PCT)
Prior art keywords
source
members
recipient library
workflows
formulation
Prior art date
Application number
PCT/US2004/042721
Other languages
French (fr)
Other versions
WO2005059779A2 (en
Inventor
David Reid Dorsett Jr
Original Assignee
Symyx Technologies Inc
David Reid Dorsett Jr
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 Symyx Technologies Inc, David Reid Dorsett Jr filed Critical Symyx Technologies Inc
Publication of WO2005059779A2 publication Critical patent/WO2005059779A2/en
Publication of WO2005059779A3 publication Critical patent/WO2005059779A3/en

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
    • G16C20/90—Programming languages; Computing architectures; Database systems; Data warehousing
    • 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
    • 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

Abstract

Methods and computer program products for managing data associated with members of related libraries of materials that include a recipient library and first and second source libraries. The members of the recipient library comprise materials derived from the first and second source libraries. An experiment object representing an experiment performed on members of the recipient library, and having a plurality of associated elements, each representing member(s) of the recipient library is defined. A source identifier identifying a source from which the material of the corresponding recipient library member was derived is stored in association with each of the plurality of the elements.
PCT/US2004/042721 2003-12-16 2004-12-16 Indexing scheme for formulation workflows WO2005059779A2 (en)

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
US53014503P 2003-12-16 2003-12-16
US60/530,145 2003-12-16

Publications (2)

Publication Number Publication Date
WO2005059779A2 WO2005059779A2 (en) 2005-06-30
WO2005059779A3 true WO2005059779A3 (en) 2006-02-09

Family

ID=34700101

Family Applications (1)

Application Number Title Priority Date Filing Date
PCT/US2004/042721 WO2005059779A2 (en) 2003-12-16 2004-12-16 Indexing scheme for formulation workflows

Country Status (2)

Country Link
US (1) US20050130229A1 (en)
WO (1) WO2005059779A2 (en)

Families Citing this family (10)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US7199809B1 (en) * 1998-10-19 2007-04-03 Symyx Technologies, Inc. Graphic design of combinatorial material libraries
US7216113B1 (en) * 2000-03-24 2007-05-08 Symyx Technologies, Inc. Remote Execution of Materials Library Designs
EP1350214A4 (en) * 2000-12-15 2009-06-10 Symyx Technologies Inc Methods and apparatus for designing high-dimensional combinatorial experiments
US7085773B2 (en) * 2001-01-05 2006-08-01 Symyx Technologies, Inc. Laboratory database system and methods for combinatorial materials research
US7250950B2 (en) * 2001-01-29 2007-07-31 Symyx Technologies, Inc. Systems, methods and computer program products for determining parameters for chemical synthesis
US7213034B2 (en) * 2003-01-24 2007-05-01 Symyx Technologies, Inc. User-configurable generic experiment class for combinatorial materials research
US20050278308A1 (en) * 2004-06-01 2005-12-15 Barstow James F Methods and systems for data integration
EP1603035A3 (en) * 2004-06-03 2008-03-05 MDL Information Systems, Inc. Methods and apparatus for visual application design
US7818666B2 (en) * 2005-01-27 2010-10-19 Symyx Solutions, Inc. Parsing, evaluating leaf, and branch nodes, and navigating the nodes based on the evaluation
US20070050092A1 (en) * 2005-08-12 2007-03-01 Symyx Technologies, Inc. Event-based library process design

Citations (5)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO2000040331A1 (en) * 1999-01-08 2000-07-13 Symyx Technologies, Inc. Apparatus and method for combinatorial research for catalysts and polymers
EP1080435A1 (en) * 1998-10-19 2001-03-07 Symyx Technologies, Inc. Graphic design of combinatorial material libraries
WO2001079949A2 (en) * 2000-04-14 2001-10-25 Symyx Technologies, Inc. Automated process control and data management system and methods
WO2002025504A2 (en) * 2000-09-20 2002-03-28 Lobanov Victor S Method, system, and computer program product for encoding and building products of a virtual combinatorial library
US20020128734A1 (en) * 2001-01-05 2002-09-12 Dorsett David R. Laboratory database system and methods for combinatorial materials research

Family Cites Families (48)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
DE3689965T2 (en) * 1985-08-12 1994-11-17 Fuji Photo Film Co Ltd Process for processing information related to chemical reactions.
JPS6257017A (en) * 1985-09-05 1987-03-12 Fuji Photo Film Co Ltd Processing method for chemical reaction information
JPS6258331A (en) * 1985-09-09 1987-03-14 Fuji Photo Film Co Ltd Treatment of chemical reaction information
CA2048039A1 (en) * 1991-07-19 1993-01-20 Steven Derose Data processing system and method for generating a representation for and random access rendering of electronic documents
WO1995001767A1 (en) * 1993-07-08 1995-01-19 Cygnus Therapeutic Systems Monolithic matrix transdermal delivery system
US5560005A (en) * 1994-02-25 1996-09-24 Actamed Corp. Methods and systems for object-based relational distributed databases
US5463564A (en) * 1994-09-16 1995-10-31 3-Dimensional Pharmaceuticals, Inc. System and method of automatically generating chemical compounds with desired properties
US5985356A (en) * 1994-10-18 1999-11-16 The Regents Of The University Of California Combinatorial synthesis of novel materials
US6004617A (en) * 1994-10-18 1999-12-21 The Regents Of The University Of California Combinatorial synthesis of novel materials
US6030917A (en) * 1996-07-23 2000-02-29 Symyx Technologies, Inc. Combinatorial synthesis and analysis of organometallic compounds and catalysts
US5623592A (en) * 1994-10-18 1997-04-22 Molecular Dynamics Method and apparatus for constructing an iconic sequence to operate external devices
US5980096A (en) * 1995-01-17 1999-11-09 Intertech Ventures, Ltd. Computer-based system, methods and graphical interface for information storage, modeling and stimulation of complex systems
US6983227B1 (en) * 1995-01-17 2006-01-03 Intertech Ventures, Ltd. Virtual models of complex systems
US6738529B1 (en) * 1996-10-09 2004-05-18 Symyx Technologies, Inc. Analysis of chemical data from images
DE69735411T2 (en) * 1996-10-09 2006-09-07 Symyx Technologies, Inc., Santa Clara INFRARED SPECTROSCOPY AND LIBRARY IMAGING
IL129728A0 (en) * 1996-11-04 2000-02-29 Dimensional Pharm Inc System method and computer program product for the visualization and interactive processing and analysis of chemical data
US5848415A (en) * 1996-12-18 1998-12-08 Unisys Corporation Selective multiple protocol transport and dynamic format conversion in a multi-user network
US5985214A (en) * 1997-05-16 1999-11-16 Aurora Biosciences Corporation Systems and methods for rapidly identifying useful chemicals in liquid samples
US6187164B1 (en) * 1997-09-30 2001-02-13 Symyx Technologies, Inc. Method for creating and testing a combinatorial array employing individually addressable electrodes
US6175409B1 (en) * 1999-04-02 2001-01-16 Symyx Technologies, Inc. Flow-injection analysis and variable-flow light-scattering methods and apparatus for characterizing polymers
US6406632B1 (en) * 1998-04-03 2002-06-18 Symyx Technologies, Inc. Rapid characterization of polymers
GB9810574D0 (en) * 1998-05-18 1998-07-15 Thermo Bio Analysis Corp Apparatus and method for monitoring and controlling laboratory information and/or instruments
US6455316B1 (en) * 1998-08-13 2002-09-24 Symyx Technologies, Inc. Parallel reactor with internal sensing and method of using same
US6306658B1 (en) * 1998-08-13 2001-10-23 Symyx Technologies Parallel reactor with internal sensing
US6415276B1 (en) * 1998-08-14 2002-07-02 University Of New Mexico Bayesian belief networks for industrial processes
US6618852B1 (en) * 1998-09-14 2003-09-09 Intellichem, Inc. Object-oriented framework for chemical-process-development decision-support applications
US7199809B1 (en) * 1998-10-19 2007-04-03 Symyx Technologies, Inc. Graphic design of combinatorial material libraries
US6535284B1 (en) * 1998-10-19 2003-03-18 Symyx Technologies, Inc. Rheo-optical indexer and method of screening and characterizing arrays of materials
US6438497B1 (en) * 1998-12-11 2002-08-20 Symyx Technologies Method for conducting sensor array-based rapid materials characterization
US6486898B1 (en) * 1999-03-31 2002-11-26 Koninklijke Philips Electronics N.V. Device and method for a lattice display
US6947953B2 (en) * 1999-11-05 2005-09-20 The Board Of Trustees Of The Leland Stanford Junior University Internet-linked system for directory protocol based data storage, retrieval and analysis
US20010047398A1 (en) * 2000-02-29 2001-11-29 Rubenstein Stewart D. Managing chemical information and commerce
US7216113B1 (en) * 2000-03-24 2007-05-08 Symyx Technologies, Inc. Remote Execution of Materials Library Designs
US20020049548A1 (en) * 2000-04-03 2002-04-25 Libraria, Inc. Chemistry resource database
US6968536B2 (en) * 2000-07-14 2005-11-22 Borland Software Corporation Frame component container
US6572750B1 (en) * 2000-07-21 2003-06-03 Symyx Technologies, Inc. Hydrodynamic injector
EP1350214A4 (en) * 2000-12-15 2009-06-10 Symyx Technologies Inc Methods and apparatus for designing high-dimensional combinatorial experiments
US7085773B2 (en) * 2001-01-05 2006-08-01 Symyx Technologies, Inc. Laboratory database system and methods for combinatorial materials research
US6725232B2 (en) * 2001-01-19 2004-04-20 Drexel University Database system for laboratory management and knowledge exchange
US7250950B2 (en) * 2001-01-29 2007-07-31 Symyx Technologies, Inc. Systems, methods and computer program products for determining parameters for chemical synthesis
EP2290532A3 (en) * 2001-07-26 2013-04-24 IRiSE System and process for gathering, recording and validating requirements for computer applications
US7984423B2 (en) * 2001-08-14 2011-07-19 National Instruments Corporation Configuration diagram which displays a configuration of a system
US7308363B2 (en) * 2002-01-23 2007-12-11 Sri International Modeling and evaluation metabolic reaction pathways and culturing cells
US7219328B2 (en) * 2002-08-28 2007-05-15 Honeywell International Inc. Model-based composable code generation
US7213034B2 (en) * 2003-01-24 2007-05-01 Symyx Technologies, Inc. User-configurable generic experiment class for combinatorial materials research
EP1603035A3 (en) * 2004-06-03 2008-03-05 MDL Information Systems, Inc. Methods and apparatus for visual application design
US7818666B2 (en) * 2005-01-27 2010-10-19 Symyx Solutions, Inc. Parsing, evaluating leaf, and branch nodes, and navigating the nodes based on the evaluation
US20070050092A1 (en) * 2005-08-12 2007-03-01 Symyx Technologies, Inc. Event-based library process design

Patent Citations (5)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
EP1080435A1 (en) * 1998-10-19 2001-03-07 Symyx Technologies, Inc. Graphic design of combinatorial material libraries
WO2000040331A1 (en) * 1999-01-08 2000-07-13 Symyx Technologies, Inc. Apparatus and method for combinatorial research for catalysts and polymers
WO2001079949A2 (en) * 2000-04-14 2001-10-25 Symyx Technologies, Inc. Automated process control and data management system and methods
WO2002025504A2 (en) * 2000-09-20 2002-03-28 Lobanov Victor S Method, system, and computer program product for encoding and building products of a virtual combinatorial library
US20020128734A1 (en) * 2001-01-05 2002-09-12 Dorsett David R. Laboratory database system and methods for combinatorial materials research

Non-Patent Citations (2)

* Cited by examiner, † Cited by third party
Title
BRAVI G ET AL: "PLUMS: a program for the rapid optimization of focused libraries", JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES ACS USA, vol. 40, no. 6, November 2000 (2000-11-01), pages 1441 - 1448, XP002358955, ISSN: 0095-2338 *
STANTON R. V. ET AL.: "Combinatorial library design: maximizing model-fitting compounds within matrix synthesis constraints", JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, vol. 40, no. 3, March 2000 (2000-03-01), pages 701 - 705, XP002358964 *

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US20050130229A1 (en) 2005-06-16
WO2005059779A2 (en) 2005-06-30

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