DE602006009635D1 - Deskriptoren für dreidimensionale Objekte, deren Verwendung und Verfahren zu deren Erstellung - Google Patents

Deskriptoren für dreidimensionale Objekte, deren Verwendung und Verfahren zu deren Erstellung

Info

Publication number
DE602006009635D1
DE602006009635D1 DE602006009635T DE602006009635T DE602006009635D1 DE 602006009635 D1 DE602006009635 D1 DE 602006009635D1 DE 602006009635 T DE602006009635 T DE 602006009635T DE 602006009635 T DE602006009635 T DE 602006009635T DE 602006009635 D1 DE602006009635 D1 DE 602006009635D1
Authority
DE
Germany
Prior art keywords
cage
dimensional object
descriptors
creating
methods
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.)
Active
Application number
DE602006009635T
Other languages
English (en)
Inventor
Winter Hans Louis Jos De
Wilfried Gert Roger Langenaeker
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.)
Silicos NV
Original Assignee
Silicos NV
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 Silicos NV filed Critical Silicos NV
Publication of DE602006009635D1 publication Critical patent/DE602006009635D1/de
Active legal-status Critical Current
Anticipated expiration legal-status Critical

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
    • 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
    • G16B15/30—Drug targeting using structural data; Docking or binding prediction
    • 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

Landscapes

  • Chemical & Material Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Health & Medical Sciences (AREA)
  • Physics & Mathematics (AREA)
  • Theoretical Computer Science (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Biophysics (AREA)
  • Biotechnology (AREA)
  • Evolutionary Biology (AREA)
  • General Health & Medical Sciences (AREA)
  • Medical Informatics (AREA)
  • Medicinal Chemistry (AREA)
  • Computing Systems (AREA)
  • Processing Or Creating Images (AREA)
  • Information Retrieval, Db Structures And Fs Structures Therefor (AREA)
  • Image Generation (AREA)
  • Image Processing (AREA)
  • Testing, Inspecting, Measuring Of Stereoscopic Televisions And Televisions (AREA)
DE602006009635T 2006-06-01 2006-06-01 Deskriptoren für dreidimensionale Objekte, deren Verwendung und Verfahren zu deren Erstellung Active DE602006009635D1 (de)

Applications Claiming Priority (1)

Application Number Priority Date Filing Date Title
EP06011342A EP1862927B1 (de) 2006-06-01 2006-06-01 Deskriptoren für dreidimensionale Objekte, deren Verwendung und Verfahren zu deren Erstellung

Publications (1)

Publication Number Publication Date
DE602006009635D1 true DE602006009635D1 (de) 2009-11-19

Family

ID=37983460

Family Applications (1)

Application Number Title Priority Date Filing Date
DE602006009635T Active DE602006009635D1 (de) 2006-06-01 2006-06-01 Deskriptoren für dreidimensionale Objekte, deren Verwendung und Verfahren zu deren Erstellung

Country Status (5)

Country Link
EP (1) EP1862927B1 (de)
AT (1) ATE445193T1 (de)
DE (1) DE602006009635D1 (de)
ES (1) ES2339872T3 (de)
HK (1) HK1115654A1 (de)

Families Citing this family (4)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO2009146735A1 (en) * 2008-06-03 2009-12-10 Silicos Nv Descriptors of three-dimensional objects, uses thereof and a method to generate the same
US8374837B2 (en) 2008-06-04 2013-02-12 Silicos Nv Descriptors of three-dimensional objects, uses thereof and a method to generate the same
CN103093100B (zh) * 2013-01-21 2016-06-01 上海交通大学 花色苷抗氧化活性三维定量构效关系模型的构建方法
CN116227253B (zh) * 2023-05-10 2023-07-11 吉林大学 一种高通量计算广义配位数和电子描述符的方法

Also Published As

Publication number Publication date
ES2339872T3 (es) 2010-05-26
EP1862927B1 (de) 2009-10-07
EP1862927A1 (de) 2007-12-05
HK1115654A1 (en) 2008-12-05
ATE445193T1 (de) 2009-10-15

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Legal Events

Date Code Title Description
8364 No opposition during term of opposition