EP1010094A4 - Gemischtes sichtungssystem - Google Patents

Gemischtes sichtungssystem

Info

Publication number
EP1010094A4
EP1010094A4 EP98941143A EP98941143A EP1010094A4 EP 1010094 A4 EP1010094 A4 EP 1010094A4 EP 98941143 A EP98941143 A EP 98941143A EP 98941143 A EP98941143 A EP 98941143A EP 1010094 A4 EP1010094 A4 EP 1010094A4
Authority
EP
European Patent Office
Prior art keywords
screening system
compound screening
compound
screening
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.)
Withdrawn
Application number
EP98941143A
Other languages
English (en)
French (fr)
Other versions
EP1010094A1 (de
Inventor
David Alan Winkler
Frank Robert Burden
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.)
Commonwealth Scientific and Industrial Research Organization CSIRO
Monash University
Original Assignee
Commonwealth Scientific and Industrial Research Organization CSIRO
Monash University
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
Priority claimed from AUPO8921A external-priority patent/AUPO892197A0/en
Priority claimed from AUPP1192A external-priority patent/AUPP119297A0/en
Application filed by Commonwealth Scientific and Industrial Research Organization CSIRO, Monash University filed Critical Commonwealth Scientific and Industrial Research Organization CSIRO
Publication of EP1010094A1 publication Critical patent/EP1010094A1/de
Publication of EP1010094A4 publication Critical patent/EP1010094A4/de
Withdrawn legal-status Critical Current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
    • 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
    • B01J2219/00583—Features relative to the processes being carried out
    • B01J2219/00601—High-pressure 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
    • B01J2219/0068—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

Landscapes

  • Chemical & Material Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Health & Medical Sciences (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Theoretical Computer Science (AREA)
  • General Health & Medical Sciences (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Computing Systems (AREA)
  • Medicinal Chemistry (AREA)
  • Library & Information Science (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Physics & Mathematics (AREA)
  • Organic Chemistry (AREA)
  • Biochemistry (AREA)
  • Chemical Kinetics & Catalysis (AREA)
  • Biophysics (AREA)
  • Molecular Biology (AREA)
  • Biotechnology (AREA)
  • Evolutionary Biology (AREA)
  • Medical Informatics (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Information Retrieval, Db Structures And Fs Structures Therefor (AREA)
EP98941143A 1997-09-03 1998-09-03 Gemischtes sichtungssystem Withdrawn EP1010094A4 (de)

Applications Claiming Priority (5)

Application Number Priority Date Filing Date Title
AUPO892197 1997-09-03
AUPO8921A AUPO892197A0 (en) 1997-09-03 1997-09-03 Compound screening system
AUPP1192A AUPP119297A0 (en) 1997-12-31 1997-12-31 Compound screening system
AUPP119297 1997-12-31
PCT/AU1998/000715 WO1999012118A1 (en) 1997-09-03 1998-09-03 Compound screening system

Publications (2)

Publication Number Publication Date
EP1010094A1 EP1010094A1 (de) 2000-06-21
EP1010094A4 true EP1010094A4 (de) 2001-03-07

Family

ID=25645594

Family Applications (1)

Application Number Title Priority Date Filing Date
EP98941143A Withdrawn EP1010094A4 (de) 1997-09-03 1998-09-03 Gemischtes sichtungssystem

Country Status (2)

Country Link
EP (1) EP1010094A4 (de)
WO (1) WO1999012118A1 (de)

Families Citing this family (10)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO2000079263A2 (en) * 1999-06-18 2000-12-28 Synt:Em S.A. Identifying active molecules using physico-chemical parameters
US20040199334A1 (en) * 2001-04-06 2004-10-07 Istvan Kovesdi Method for generating a quantitative structure property activity relationship
CA2447357A1 (en) 2001-05-22 2002-11-28 Gene Logic, Inc. Molecular toxicology modeling
US7447594B2 (en) 2001-07-10 2008-11-04 Ocimum Biosolutions, Inc. Molecular cardiotoxicology modeling
US7469185B2 (en) 2002-02-04 2008-12-23 Ocimum Biosolutions, Inc. Primary rat hepatocyte toxicity modeling
CN109359833B (zh) * 2018-09-27 2022-05-27 中国石油大学(华东) 一种基于abc-brann模型的海洋平台燃爆风险分析方法
CN111916143B (zh) * 2020-07-27 2023-07-28 西安电子科技大学 基于多样子结构特征融合的分子活性预测方法
CN114334018B (zh) * 2021-12-29 2024-09-06 深圳晶泰科技有限公司 获取分子特征描述的方法、装置及存储介质
WO2023123021A1 (zh) * 2021-12-29 2023-07-06 深圳晶泰科技有限公司 获取分子特征描述的方法、装置及存储介质
CN114649067A (zh) * 2022-03-10 2022-06-21 河海大学 一种乙醇偶合制备c4烯烃的预测方法

Citations (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5434796A (en) * 1993-06-30 1995-07-18 Daylight Chemical Information Systems, Inc. Method and apparatus for designing molecules with desired properties by evolving successive populations

Family Cites Families (4)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JPH05503691A (ja) * 1989-12-29 1993-06-17 ユニバーシティ・テクノロジーズ・インターナショナル・インコーポレイテッド アゴニストおよびアンタゴニストを含む生物学的に活性なリガンドの３次構造モデルの設計方法およびアンギオテンシンに基づいた新規合成アンタゴニスト
JP2739804B2 (ja) * 1993-05-14 1998-04-15 日本電気株式会社 双極子推定装置
AU7311994A (en) * 1993-05-21 1994-12-20 Arris Pharmaceutical Corporation A machine-learning approach to modeling biological activity for molecular design and to modeling other characteristics
US5699268A (en) * 1995-03-24 1997-12-16 University Of Guelph Computational method for designing chemical structures having common functional characteristics

Patent Citations (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5434796A (en) * 1993-06-30 1995-07-18 Daylight Chemical Information Systems, Inc. Method and apparatus for designing molecules with desired properties by evolving successive populations

Non-Patent Citations (4)

* Cited by examiner, † Cited by third party
Title
D.E. WALTERS ET AL.: "GENETICALLY EVOLVED RECEPTOR MODELS: A COMPUTATIONAL APPROACH TO CONSTRUCTION OF RECEPTOR MODELS", JOURNAL OF MEDICINAL CHEMISTRY, vol. 37, no. 16, 5 August 1994 (1994-08-05), Washington, DC, US, pages 2527 - 2536, XP000608151, ISSN: 0022-2623 *
F.R. BURDEN ET AL.: "Predicting maximum bioactivity by effective inversion of neural networks using genetic algorithms", CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, vol. 38, no. 2, 1 October 1997 (1997-10-01), Amsterdam, NL, pages 127 - 137, XP004097524, ISSN: 0169-7439 *
J. B. MOON ET AL.: "Computer Design of Bioactive Molecules: A Method for Receptor-Based de Novo Ligand Design", PROTEINS: STRUCTURE, FUNCTION AND GENETICS, vol. 11, 1991, pages 314 - 328, XP000560842 *
See also references of WO9912118A1 *

Also Published As

Publication number Publication date
EP1010094A1 (de) 2000-06-21
WO1999012118A1 (en) 1999-03-11

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