WO2002077772B1 - Method and system for high-throughput screening - Google Patents

Method and system for high-throughput screening

Info

Publication number
WO2002077772B1
WO2002077772B1 PCT/US2002/009274 US0209274W WO02077772B1 WO 2002077772 B1 WO2002077772 B1 WO 2002077772B1 US 0209274 W US0209274 W US 0209274W WO 02077772 B1 WO02077772 B1 WO 02077772B1
Authority
WO
WIPO (PCT)
Prior art keywords
experiments
experimental
experiment
values
determining
Prior art date
Application number
PCT/US2002/009274
Other languages
French (fr)
Other versions
WO2002077772A3 (en
WO2002077772A2 (en
WO2002077772A9 (en
Inventor
Douglas A Levinson
Donovan Chin
Original Assignee
Transform 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 Transform Pharmaceuticals Inc filed Critical Transform Pharmaceuticals Inc
Priority to CA002441931A priority Critical patent/CA2441931A1/en
Priority to EP02733893A priority patent/EP1381857A4/en
Priority to AU2002305092A priority patent/AU2002305092A1/en
Publication of WO2002077772A2 publication Critical patent/WO2002077772A2/en
Publication of WO2002077772A9 publication Critical patent/WO2002077772A9/en
Publication of WO2002077772A3 publication Critical patent/WO2002077772A3/en
Publication of WO2002077772B1 publication Critical patent/WO2002077772B1/en

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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
    • 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
    • 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
    • G16C20/30—Prediction of properties of chemical compounds, compositions or mixtures
    • 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
    • B01J2219/00277—Apparatus
    • B01J2219/00279—Features relating to reactor vessels
    • B01J2219/00306—Reactor vessels in a multiple arrangement
    • B01J2219/00313—Reactor vessels in a multiple arrangement the reactor vessels being formed by arrays of wells in blocks
    • B01J2219/00315—Microtiter plates
    • 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
    • B01J2219/00583—Features relative to the processes being carried out
    • B01J2219/00585—Parallel processes
    • 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
    • B01J2219/00583—Features relative to the processes being carried out
    • B01J2219/00585—Parallel processes
    • B01J2219/00587—High throughput processes
    • 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
    • B01J2219/00583—Features relative to the processes being carried out
    • B01J2219/00599—Solution-phase processes
    • 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
    • B01J2219/00583—Features relative to the processes being carried out
    • B01J2219/00603—Making arrays on substantially continuous surfaces
    • B01J2219/00659—Two-dimensional 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
    • B01J2219/00707—Processes involving means for analysing and characterising the products separated from the reactor apparatus
    • 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
    • B01J2219/00722—Nucleotides
    • 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
    • B01J2219/00725—Peptides
    • 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
    • B01J2219/00756—Compositions, e.g. coatings, crystals, formulations
    • C—CHEMISTRY; METALLURGY
    • C40—COMBINATORIAL TECHNOLOGY
    • C40B—COMBINATORIAL CHEMISTRY; LIBRARIES, e.g. CHEMICAL LIBRARIES
    • C40B40/00—Libraries per se, e.g. arrays, mixtures
    • C40B40/04—Libraries containing only organic compounds
    • C40B40/06—Libraries containing nucleotides or polynucleotides, or derivatives thereof
    • C—CHEMISTRY; METALLURGY
    • C40—COMBINATORIAL TECHNOLOGY
    • C40B—COMBINATORIAL CHEMISTRY; LIBRARIES, e.g. CHEMICAL LIBRARIES
    • C40B40/00—Libraries per se, e.g. arrays, mixtures
    • C40B40/04—Libraries containing only organic compounds
    • C40B40/10—Libraries containing peptides or polypeptides, or derivatives thereof
    • C—CHEMISTRY; METALLURGY
    • C40—COMBINATORIAL TECHNOLOGY
    • C40B—COMBINATORIAL CHEMISTRY; LIBRARIES, e.g. CHEMICAL LIBRARIES
    • C40B50/00—Methods of creating libraries, e.g. combinatorial synthesis
    • C40B50/08—Liquid phase synthesis, i.e. wherein all library building blocks are in liquid phase or in solution during library creation; Particular methods of cleavage from the liquid support
    • C—CHEMISTRY; METALLURGY
    • C40—COMBINATORIAL TECHNOLOGY
    • C40B—COMBINATORIAL CHEMISTRY; LIBRARIES, e.g. CHEMICAL LIBRARIES
    • C40B60/00—Apparatus specially adapted for use in combinatorial chemistry or with libraries
    • C40B60/14—Apparatus specially adapted for use in combinatorial chemistry or with libraries for creating 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
    • 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

  • Chemical & Material Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Computing Systems (AREA)
  • Theoretical Computer Science (AREA)
  • Health & Medical Sciences (AREA)
  • General Health & Medical Sciences (AREA)
  • Medicinal Chemistry (AREA)
  • Library & Information Science (AREA)
  • Organic Chemistry (AREA)
  • Chemical Kinetics & Catalysis (AREA)
  • Investigating Or Analysing Biological Materials (AREA)

Abstract

The present application is directed to the use of computerized date processing to plan, perform, and assess the results of high-throughput screening of multicomponent chemical compositions and solid forms of compounds. Systems utilized include databases of molecular descriptors and related compounds and their properties as determined empirically and through simulation, along with multidimensional visualization tools. Methods include methods for determining chemical compositions by performing steps including selecting a plurality of combinations of values of experimental parameters that can be varied by an automated experiment apparatus, determining a set of experimental results, and determining a second plurality of combinations of values based on the set of experimental results. Additional methods include selecting values of parameters that produce a composition, the values being relatively far from areas of rapid change or boundaries between solid forms.

Claims

AMENDED CLAIMS
[received by the International Bureau on 09 April 2003 (09.04.03) claims 35 to 38 added];
7. The method of claim 1 wherein at least a portion of the second plurality of distinct combinations of values of experimental parameters is determined based on a comparison of individual results corresponding to experiments from the first set of experiments with one or more target values.
5
8. The method of claim 1 wherein at least a portion of the second plurality of distinct combinations of values of experimental parameters is determined based on at least one database query derived from one or more experimental results from the first collection of experimental results.
10
9. The method of claim 1 or 2 wherein at least a portion of the second plurality of distinct combinations of values of experimental parameters is determined based on the output of at least one simulation that used as input at least one experimental result from the first collection of experimental results.
15
10. The method of claim 8 wherein the query comprises one or more molecular descriptors characteristic of at least one experiment selected from the first set of experiments.
20 11. A method of estimating one or more properties of a multicomponent chemical composition comprising the steps of: receiving signals representing an experimental result set for each of a plurality of experiments conducted by a high-throughput automated experimentation apparatus; for each of at least a portion of the experiments, generating a predictive model based 25 on signals characterizing each experimental result set according to the property to be estimated and signals characterizing the experiment with respect to a set of molecular descriptors; estimating the property for a multicomponent chemical composition by providing signals characterizing the multicomponent chemical composition with respect to the 30 molecular descriptors as input to the predictive model.
12. A method of estimating a property of a solid form of a compound, comprising the steps of: receiving signals representing experimental result sets for a plurality of experiments 35 conducted by a high-throughput automated experimentation apparatus;
45
15. A method of determining a multicomponent chemical composition of matter, comprising the method of claim 11, 12, 13 or 14, and further comprising the steps of: based on the estimation, determining a plurality of distinct combinations of values of the experimental parameters, each combination corresponding to a distinct experiment; causing the automated experimentation apparatus to conduct a second plurality of experiments corresponding to the plurality of distinct combinations of values of the experimental parameters; receiving signals representing an experimental result set for each of the second plurality of experiments; selecting a multicomponent chemical composition of matter based on the experimental result sets.
16. The method of claim 2 wherein the second plurality of distinct combinations of values of experimental parameters is determined based on hydrogen-bond-biased simulated annealing monte carlo screening.
18. A method of determining one or more multicomponent chemical compositions comprising: conducting a plurality of experiments using a high-throughput automated experimentation apparatus; for each experiment, electronically storing : a set of experimental parameters; a set of experimental results; a set of molecular descriptors characterizing an aspect of the experiment; associating data representing each experiment with previously stored data by querying a database comprising information not derived from the plurality of experiments; processing at least a portion of the experiment data and the associated previously stored data with a processor programmed to apply a discriminator algorithm to associate at least one experiment with at least one classification; determining one or more multicomponent chemical compositions based on the at least one classification.
46
19. The method of claim 18, wherein the discriminator algorithm comprises a predictive model.
20. The method of claim 19, wherein the predictive model further comprises a Kohonen neural network.
21. A method of determining one or more solid forms of a compound comprising: conducting a plurality of experiments using a high-throughput automated experimentation apparatus; for each experiment, electronically storing : a set of experimental parameters; a set of experimental results; a set of molecular descriptors characterizing an aspect of the experiment; associating data representing each experiment with previously stored data by querying a database comprising information not derived from the plurality of experiments; processing at least a portion of the experiment data and the associated previously stored data with a processor programmed to apply a discriminator algorithm to associate at least one experiment with at least one classification; determining one or more solid forms based on the at least one classification.
22. The method of claim 21, wherein the discriminator algorithm comprises a predictive model.
23. The method of claim 22, wherein the predictive model further comprises a Kohonen neural network.
24. A system for determining a multicomponent chemical composition comprising: a database comprising at least one table, the at least one table further comprising: a plurality of molecular descriptors; a plurality of compound identifiers ; a plurality of compound/descriptor relations associating at least a portion of the compound identifiers with molecular descriptors; a plurality of empirically determined physical, chemical and biological parameters;
47 (c) conducting a plurality of crystallization experiments using a high-throughput automated experimentation apparatus;
(e) comparing measured properties of crystals produced by the plurality of crystallization experiments with the expected properties of at least a portion of the predicted polymorphs to determine which of the at least a portion of the predicted polymorphs were produced by the experiments;
(f) generating a predictive model of the relationship between experimental parameters and polymorphs produced;
(g) calculating a set of experimental parameters for a second set of crystallization experiments from the predictive model.
33. The method of claim 1, 11, 13, 18, or 24 wherein the multicomponent chemical composition comprises one or more of: a pharmaceutical, a nutraceutical, a dietary supplement, an alternative medicine, a sensory material, an agrochemical, a consumer product formulation, an industrial product formulation.
34. The method of claim 2, 12, 14, 21, 25, or 30 wherein the compound comprises one or more of: a pharmaceutical, a nutraceutical, a dietary supplement, an alternative medicine, a sensory material, an agrochemical, a consumer product formulation, an industrial product formulation.
35. The method of claim 1 or 2 wherein the first collection of experimental results is determined using at least one of the techniques selected from the group consisting of mass spectroscopy, HPLC, UV Spectroscopy, fluorescence spectroscopy, gas chromatography, optical density, colorimetry
36. The method of claim 2 wherein at least a portion of the second plurality of distinct combinations of values of experimental parameters is determined based on a comparison of individual results corresponding to experiments from the first set of experiments with one or more target values.
37. The method of claim 2 wherein at least a portion of the second plurality of distinct combinations of values of experimental parameters is determined based on at least one database query derived from one or more experimental results from the first collection of experimental results.
53
38. A multicomponent chemical composition of matter determined using the method of claim 1, 2, 3, 4, 5, 6, 7, 8, 10, 11, 12, 13, 14, 15, 16, 36, or 37.
PCT/US2002/009274 2001-03-23 2002-03-25 Method and system for high-throughput screening WO2002077772A2 (en)

Priority Applications (3)

Application Number Priority Date Filing Date Title
CA002441931A CA2441931A1 (en) 2001-03-23 2002-03-25 Method and system for high-throughput screening
EP02733893A EP1381857A4 (en) 2001-03-23 2002-03-25 Method and system for planning, performing, and assessing high-throughput screening of multicomponent chemical compositions and solid forms of compounds
AU2002305092A AU2002305092A1 (en) 2001-03-23 2002-03-25 Method and system for high-throughput screening

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
US27840101P 2001-03-23 2001-03-23
US60/278,401 2001-03-23

Publications (4)

Publication Number Publication Date
WO2002077772A2 WO2002077772A2 (en) 2002-10-03
WO2002077772A9 WO2002077772A9 (en) 2003-01-09
WO2002077772A3 WO2002077772A3 (en) 2003-08-21
WO2002077772B1 true WO2002077772B1 (en) 2004-07-08

Family

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Family Applications (1)

Application Number Title Priority Date Filing Date
PCT/US2002/009274 WO2002077772A2 (en) 2001-03-23 2002-03-25 Method and system for high-throughput screening

Country Status (4)

Country Link
EP (1) EP1381857A4 (en)
AU (1) AU2002305092A1 (en)
CA (1) CA2441931A1 (en)
WO (1) WO2002077772A2 (en)

Families Citing this family (8)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US6977723B2 (en) 2000-01-07 2005-12-20 Transform Pharmaceuticals, Inc. Apparatus and method for high-throughput preparation and spectroscopic classification and characterization of compositions
WO2002093297A2 (en) * 2001-05-11 2002-11-21 Transform Pharmaceuticals, Inc. Methods for high-throughput screening and computer modelling of pharmaceutical compounds
GB2554334A (en) 2016-05-17 2018-04-04 Tap Biosystems Phc Ltd Automated bioprocess development
BR112020014315A2 (en) 2018-01-17 2020-12-08 Vertex Pharmaceuticals Incorporated DNA-PK INHIBITORS
JP6633820B1 (en) 2018-03-09 2020-01-22 昭和電工株式会社 Apparatus, program, and method for predicting physical properties of polymer
EP3561702A1 (en) * 2018-04-23 2019-10-30 Covestro Deutschland AG Method for determining a product composition for a chemical mixture product
EP3584726A1 (en) * 2018-06-18 2019-12-25 Covestro Deutschland AG Method and computer system for determining polymeric product properties
CN111128311B (en) * 2019-12-25 2023-04-28 北京化工大学 Catalytic material screening method and system based on high-throughput experiment and calculation

Family Cites Families (4)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US6175816B1 (en) * 1997-05-23 2001-01-16 Advanced Life Sciences, Inc. Use of automated technology in chemical process research and development
WO2000040331A1 (en) * 1999-01-08 2000-07-13 Symyx Technologies, Inc. Apparatus and method for combinatorial research for catalysts and polymers
AU1245401A (en) * 1999-10-29 2001-05-14 Avery Dennison Corporation An apparatus for high-throughput production of coat material arrays, and analytical methods using such arrays
US7078164B1 (en) * 2000-06-19 2006-07-18 Symyx Technologies, Inc. High throughput screen for identifying polymerization catalysts from potential catalysts

Also Published As

Publication number Publication date
WO2002077772A3 (en) 2003-08-21
WO2002077772A2 (en) 2002-10-03
EP1381857A2 (en) 2004-01-21
WO2002077772A9 (en) 2003-01-09
CA2441931A1 (en) 2002-10-03
EP1381857A4 (en) 2007-03-28
AU2002305092A1 (en) 2002-10-08

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