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WO2002093297A3 - Procede et systeme de planification, d'execution et d'evaluation du criblage haut rendement de compositions chimiques a composants multiples et de formes solides de composants - Google Patents

Procede et systeme de planification, d'execution et d'evaluation du criblage haut rendement de compositions chimiques a composants multiples et de formes solides de composants Download PDF

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Publication number
WO2002093297A3
WO2002093297A3 PCT/US2002/014601 US0214601W WO02093297A3 WO 2002093297 A3 WO2002093297 A3 WO 2002093297A3 US 0214601 W US0214601 W US 0214601W WO 02093297 A3 WO02093297 A3 WO 02093297A3
Authority
WO
WIPO (PCT)
Prior art keywords
methods
throughput screening
pharmaceutical compounds
computer modelling
throughput
Prior art date
Application number
PCT/US2002/014601
Other languages
English (en)
Other versions
WO2002093297A2 (fr
Inventor
Douglas Levinson
Christopher Mcnulty
Christopher Moore
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 IL15878702A priority Critical patent/IL158787A0/xx
Priority to EP02731725A priority patent/EP1395808A4/fr
Priority to AU2002303683A priority patent/AU2002303683A1/en
Priority to CA002447047A priority patent/CA2447047A1/fr
Publication of WO2002093297A2 publication Critical patent/WO2002093297A2/fr
Publication of WO2002093297A3 publication Critical patent/WO2002093297A3/fr

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
    • G16C20/30—Prediction of properties of chemical compounds, compositions or mixtures
    • 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
    • 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)
  • Medicinal Preparation (AREA)
  • Analysing Materials By The Use Of Radiation (AREA)

Abstract

L'invention concerne un procédé et un système permettant de planifier et d'évaluer les résultats du criblage haut rendement de formes solides et du criblage haut rendement de préparations. L'invention concerne également des procédés et des systèmes permettant d'utiliser le criblage haut rendement de formes solides et le criblage haut rendement de préparations afin de choisir des composés et des préparations de manière à les analyser ultérieurement, ou encore, pour hiérarchiser l'analyse.
PCT/US2002/014601 2001-05-11 2002-05-10 Procede et systeme de planification, d'execution et d'evaluation du criblage haut rendement de compositions chimiques a composants multiples et de formes solides de composants WO2002093297A2 (fr)

Priority Applications (4)

Application Number Priority Date Filing Date Title
IL15878702A IL158787A0 (en) 2001-05-11 2002-05-10 Medthod and system for planning, performing, and assessing high-throughput screening of multicomponent chemical compositions and solid forms of compounds
EP02731725A EP1395808A4 (fr) 2001-05-11 2002-05-10 Procede et systeme de planification, d'execution et d'evaluation du criblage haut rendement de compositions chimiques a composants multiples et de formes solides de composants
AU2002303683A AU2002303683A1 (en) 2001-05-11 2002-05-10 Methods for high-throughput screening and computer modelling of pharmaceutical compounds
CA002447047A CA2447047A1 (fr) 2001-05-11 2002-05-10 Procede et systeme de planification, d'execution et d'evaluation du criblage haut rendement de compositions chimiques a composants multiples et de formes solides de composants

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
US29032001P 2001-05-11 2001-05-11
US60/290,320 2001-05-11

Publications (2)

Publication Number Publication Date
WO2002093297A2 WO2002093297A2 (fr) 2002-11-21
WO2002093297A3 true WO2002093297A3 (fr) 2003-09-25

Family

ID=23115464

Family Applications (1)

Application Number Title Priority Date Filing Date
PCT/US2002/014601 WO2002093297A2 (fr) 2001-05-11 2002-05-10 Procede et systeme de planification, d'execution et d'evaluation du criblage haut rendement de compositions chimiques a composants multiples et de formes solides de composants

Country Status (5)

Country Link
EP (1) EP1395808A4 (fr)
AU (1) AU2002303683A1 (fr)
CA (1) CA2447047A1 (fr)
IL (1) IL158787A0 (fr)
WO (1) WO2002093297A2 (fr)

Families Citing this family (10)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US20040252299A9 (en) 2000-01-07 2004-12-16 Lemmo Anthony V. Apparatus and method for high-throughput preparation and spectroscopic classification and characterization of compositions
CA2826894A1 (fr) * 2011-02-14 2012-08-23 Carnegie Mellon University Apprentissage de la prediction des effets de composes sur des cibles
GB2554334A (en) * 2016-05-17 2018-04-04 Tap Biosystems Phc Ltd Automated bioprocess development
CN106897331B (zh) * 2016-06-07 2020-09-11 阿里巴巴集团控股有限公司 用户关键位置数据获取方法及装置
CN107357966B (zh) * 2017-06-21 2020-07-03 山东科技大学 一种回采巷道围岩稳定性预测的评估方法
CN112154174B (zh) * 2018-05-22 2024-02-06 埃克森美孚化学专利公司 形成膜的方法及其相关的计算装置
CN109142574B (zh) * 2018-08-29 2021-05-18 广东药科大学 基于svr研究葛根芩连汤改善胰岛素抵抗的物质基础的方法
EP4285371A4 (fr) * 2021-01-26 2024-12-25 Citrine Informatics, Inc. Échantillonnage en deux étapes pour la génération de déformulation accélérée
CN113963756B (zh) * 2021-05-18 2022-10-11 杭州剂泰医药科技有限责任公司 一种药物制剂处方开发的平台及方法
WO2024169983A1 (fr) * 2023-02-17 2024-08-22 Basf Se Optimisation de recettes concernant le comportement de combustion de mousses de polyuréthane

Citations (4)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5705333A (en) * 1994-08-05 1998-01-06 The Regents Of The University Of California Peptide-based nucleic acid mimics(PENAMS)
US20020049771A1 (en) * 2000-03-13 2002-04-25 Renpei Nagashima Method, system and apparatus for handling information on chemical substances
US20020061599A1 (en) * 1999-12-30 2002-05-23 Elling Christian E. Method of identifying ligands of biological target molecules
US6460014B1 (en) * 1997-09-05 2002-10-01 Accelrys Inc. Modeling interactions with atomic parameters including anisotropic dipole polarizability

Family Cites Families (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CA2441931A1 (fr) * 2001-03-23 2002-10-03 Douglas A. Levinson Procede et systeme servant a planifier, executer et evaluer un criblage a haut rendement de compositions chimiques a constituants multiples et de formes solides de composes

Patent Citations (4)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5705333A (en) * 1994-08-05 1998-01-06 The Regents Of The University Of California Peptide-based nucleic acid mimics(PENAMS)
US6460014B1 (en) * 1997-09-05 2002-10-01 Accelrys Inc. Modeling interactions with atomic parameters including anisotropic dipole polarizability
US20020061599A1 (en) * 1999-12-30 2002-05-23 Elling Christian E. Method of identifying ligands of biological target molecules
US20020049771A1 (en) * 2000-03-13 2002-04-25 Renpei Nagashima Method, system and apparatus for handling information on chemical substances

Also Published As

Publication number Publication date
EP1395808A2 (fr) 2004-03-10
CA2447047A1 (fr) 2002-11-21
IL158787A0 (en) 2004-05-12
EP1395808A4 (fr) 2007-01-03
AU2002303683A1 (en) 2002-11-25
WO2002093297A2 (fr) 2002-11-21

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