WO2005043441A8 - Verfahren zur visualisierung der adme-eigenschaften chemischer substanzen - Google Patents

Verfahren zur visualisierung der adme-eigenschaften chemischer substanzen

Info

Publication number
WO2005043441A8
WO2005043441A8 PCT/EP2004/011810 EP2004011810W WO2005043441A8 WO 2005043441 A8 WO2005043441 A8 WO 2005043441A8 EP 2004011810 W EP2004011810 W EP 2004011810W WO 2005043441 A8 WO2005043441 A8 WO 2005043441A8
Authority
WO
WIPO (PCT)
Prior art keywords
visualising
chemical substances
adme characteristics
adme
substances
Prior art date
Application number
PCT/EP2004/011810
Other languages
English (en)
French (fr)
Other versions
WO2005043441A2 (de
Inventor
Joerg Lippert
Michael Sevestre
Walter Schmitt
Stefan Willmann
Original Assignee
Bayer Technology Services Gmbh
Joerg Lippert
Michael Sevestre
Walter Schmitt
Stefan Willmann
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 Bayer Technology Services Gmbh, Joerg Lippert, Michael Sevestre, Walter Schmitt, Stefan Willmann filed Critical Bayer Technology Services Gmbh
Priority to EP04790632A priority Critical patent/EP1683059A2/de
Priority to JP2006537131A priority patent/JP2007510206A/ja
Publication of WO2005043441A2 publication Critical patent/WO2005043441A2/de
Publication of WO2005043441A8 publication Critical patent/WO2005043441A8/de

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
    • G16C20/80—Data visualisation
    • 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
    • G16C20/70—Machine learning, data mining or chemometrics
PCT/EP2004/011810 2003-10-29 2004-10-19 Verfahren zur visualisierung der adme-eigenschaften chemischer substanzen WO2005043441A2 (de)

Priority Applications (2)

Application Number Priority Date Filing Date Title
EP04790632A EP1683059A2 (de) 2003-10-29 2004-10-19 Verfahren zur visualisierung der adme-eigenschaften chemischer substanzen
JP2006537131A JP2007510206A (ja) 2003-10-29 2004-10-19 化学物質のａｄｍｅ特性を視覚化するための方法

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
DE10350525A DE10350525A1 (de) 2003-10-29 2003-10-29 Verfahren zur Visualisierung der ADME-Eigenschaften chemischer Substanzen
DE10350525.3 2003-10-29

Publications (2)

Publication Number Publication Date
WO2005043441A2 WO2005043441A2 (de) 2005-05-12
WO2005043441A8 true WO2005043441A8 (de) 2005-12-29

Family

ID=34529884

Family Applications (1)

Application Number Title Priority Date Filing Date
PCT/EP2004/011810 WO2005043441A2 (de) 2003-10-29 2004-10-19 Verfahren zur visualisierung der adme-eigenschaften chemischer substanzen

Country Status (5)

Country Link
US (1) US20050137807A1 (de)
EP (1) EP1683059A2 (de)
JP (1) JP2007510206A (de)
DE (1) DE10350525A1 (de)
WO (1) WO2005043441A2 (de)

Families Citing this family (5)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CN104102798A (zh) * 2005-07-21 2014-10-15 皇家飞利浦电子股份有限公司 用于药物代谢动力学建模的自动输入函数估计
FR2910147B1 (fr) * 2006-12-19 2009-02-06 Galderma Res & Dev S N C Snc Methode correctrice de traitement de resultats d'experiences transcriptomiques obtenus par analyse differentielle
US20090210209A1 (en) * 2008-02-20 2009-08-20 Irody Inc Apparatus and method for simulating effects of substances
DE102014115088A1 (de) * 2014-10-16 2016-04-21 Sovicell Gmbh Bestimmung von Bindungskonstanten mittels Gleichgewichtsverlagerung
KR102587959B1 (ko) 2018-01-17 2023-10-11 삼성전자주식회사 뉴럴 네트워크를 이용하여 화학 구조를 생성하는 장치 및 방법

Family Cites Families (5)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JPH07262172A (ja) * 1994-03-18 1995-10-13 Fujitsu Ltd データ分析装置
JP2000242694A (ja) * 1999-02-18 2000-09-08 Pioneer Electronic Corp 営業戦略支援システム及びプログラムを記録した機械読み取り可能な媒体
US20020169561A1 (en) * 2001-01-26 2002-11-14 Benight Albert S. Modular computational models for predicting the pharmaceutical properties of chemical compunds
JP4677679B2 (ja) * 2001-03-27 2011-04-27 株式会社デンソー 製品の製造プロセスにおける特性調整方法
DE10160270A1 (de) * 2001-12-07 2003-06-26 Bayer Ag Computersystem und Verfahren zur Berechnung von ADME-Eigenschaften

Also Published As

Publication number Publication date
DE10350525A1 (de) 2005-06-09
US20050137807A1 (en) 2005-06-23
JP2007510206A (ja) 2007-04-19
EP1683059A2 (de) 2006-07-26
WO2005043441A2 (de) 2005-05-12

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