What are the components of ADME

WO2003048720A2 - Systems informatique et procede de calcul de proprietes adme - Google Patents

Systems informatique et procede de calcul de proprietes adme Download PDF

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Publication number
WO2003048720A2
WO2003048720A2PCT / EP2002 / 014150EP0214150WWO03048720A2WO 2003048720 A2WO2003048720 A2WO 2003048720A2EP 0214150 WEP0214150 WEP 0214150WWO 03048720 A2WO0303048720 A2WA 0
Authority
WHERE
WIPO (PCT)
Prior art keywords
substance
properties
adme
database
chemical
Prior art date
Application number
PCT / EP2002 / 014150
Other languages
German (de)
English (en)
Other versions
WO2003048720A3 (fr
Inventor
Walter Schmitt
Jörg Keldenich
Jannis Batoulis
Michael Beck
Roger-Michael Brunne
Thorsten Bürger
Thorsten Pötter
Felix Reichel
Stefan Willmann
Original assignee
Bayer Technology Services GmbH
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 to DE10160270ApriorityCriticalpatent / DE10160270A1 / de
Priority to DE10160270.7priority
Application filed by Bayer Technology Services GmbhfiledCriticalBayer Technology Services Gmbh
Publication of WO2003048720A2publicationCriticalpatent / WO2003048720A2 / fr
Publication of WO2003048720A3publicationCriticalpatent / WO2003048720A3 / fr

Left

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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 / 40 — Searching chemical structures or physicochemical data

Abstract

PCT / EP2002 / 0141502001-12-072002-11-25 Systems informatique et procede de calcul de proprietes adme WO2003048720A2 (fr)

Priority Applications (2)

Application NumberPriority DateFiling dateTitle
DE10160270ADE10160270A1 (de) 2001-12-072001-12-07Computer system and method for calculating ADME properties
DE10160270.72001-12-07

Applications Claiming Priority (5)

Application NumberPriority DateFiling dateTitle
EP02783091AEP1456646A2 (fr) 2001-12-072002-11-25Systems informatique et procede de calcul de proprietes adme
CA002469388ACA2469388A1 (fr) 2001-12-072002-11-25Systems informatique et procede de calcul de proprietes adme
US10 / 497,759US7765092B2 (en) 2001-12-072002-11-25Computer system and method for calculating ADME properties
AU2002346846AAU2002346846A1 (en) 2001-12-072002-11-25Computer system and method for calculating adme properties
JP2003549866AJP2005512176A (yes) 2001-12-072002-11-25ア ド メ 特性 を 計算 す る コ ン ピ ュ ー タ シ ス テ ム お よ び 方法

Publications (2)

ID = 7708460

Family Applications (1)

Application NumberTitlePriority DateFiling date
PCT / EP2002 / 014150WO2003048720A2 (fr) 2001-12-072002-11-25Systems informatique et procede de calcul de proprietes adme

Country Status (9)

Cited By (2)

Publication numberPriority datePublication dateAssigneeTitle
JP2007510206A (yes) *2003-10-292007-04-19バ イ エ ル ・ テ ク ノ ロ ジ ー ・ サ ー ビ シ ー ズ ・ ゲ ゼ ル シ ャ フ ト ・ ミ ッ ト ・ ベ シ ュ レ ン ク テ ル ・ ハ フ ツ ン グ GmbH Technology Services Services Services グ Technology Services Services化学 物質 の adme 特性 を 視 覚 化 す る た め の 方法
US7539607B2 (en) *2002-12-032009-05-26Bayer Technology Services GmbHComputer system and method of calculating a pharmacokinetic behavior of a chemical substance in insects

Families Citing this family (6)

Publication numberPriority datePublication dateAssigneeTitle
DE102004010516A1 (de) 2004-03-042005-09-22Bayer Technology Services GmbHImproved method for the timed dosing of drugs
WO2006065950A2 (fr) *2004-12-162006-06-22Pharmix CorporationModelisation d'effets biologiques au moyen de modeles de propriete molecular
DE102005028080A1 (de) 2005-06-172006-12-21Bayer Technology Services GmbHMethod for the timed intravenous administration of the anesthetic propofol
US8380730B2 (en) *2008-10-092013-02-19International Business Machines CorporationProgram invocation from a query interface to a parallel computing system
DE102010060311B3 (de) *2010-11-022012-02-02Free University of BerlinProcedures to support clinical trials
WO2016102463A1 (fr) 2014-12-232016-06-30Bosteels ArnaudCombination of remifentanil and propofol

Citations (5)

Publication numberPriority datePublication dateAssigneeTitle
US5751605A (en) *1996-08-151998-05-12Tripos, Inc.Molecular hologram QSAR
WO2000015178A2 (fr) *1998-09-142000-03-23Navicyte, Inc.Outil de conception de medicaments base sur la pharmacocinetique
WO2000079268A2 (fr) *1999-06-182000-12-28Biacore AbProcede et appareil de dosage biologique d'une drogue candidate destines a evaluer un parametre pharmacocinetique associe
EP1167969A2 (fr) *2000-06-142002-01-02Pfizer Inc.Méthode et système pour la prédiction des propriétés pharmacocinétiques
WO2002010742A2 (fr) *2000-07-282002-02-07Lion Bioscience AgSystems et procede servant a predire les caracteristiques adme d'un compose en fonction de sa structure

Family Cites Families (2)

Publication numberPriority datePublication dateAssigneeTitle
AU7906801A (en) *2000-07-282002-02-13Lion Bioscience AgRegional intestinal permeability model
AU2002240131A1 (en) *2001-01-262002-08-06Bioinformatics Dna Codes, LlcModular computational models for predicting the pharmaceutical properties of chemical compounds

Patent Citations (5)

Publication numberPriority datePublication dateAssigneeTitle
US5751605A (en) *1996-08-151998-05-12Tripos, Inc.Molecular hologram QSAR
WO2000015178A2 (fr) *1998-09-142000-03-23Navicyte, Inc.Outil de conception de medicaments base sur la pharmacocinetique
WO2000079268A2 (fr) *1999-06-182000-12-28Biacore AbProcede et appareil de dosage biologique d'une drogue candidate destines a evaluer un parametre pharmacocinetique associe
EP1167969A2 (fr) *2000-06-142002-01-02Pfizer Inc.Méthode et système pour la prédiction des propriétés pharmacocinétiques
WO2002010742A2 (fr) *2000-07-282002-02-07Lion Bioscience AgSystems et procede servant a predire les caracteristiques adme d'un compose en fonction de sa structure

Non-Patent Citations (1)

Title
NORRIS DA ET AL: "Development of predictive pharmacokinetic simulation models for drug discovery" JOURNAL OF CONTROLLED RELEASE, ELSEVIER SCIENCE PUBLISHERS BV, AMSTERDAM, NL, Vol. 65, No. 1-2, March 2000 (2000-03), Pages 55-62, XP004190311 ISSN: 0168-3659 *

Cited By (2)

Publication numberPriority datePublication dateAssigneeTitle
US7539607B2 (en) *2002-12-032009-05-26Bayer Technology Services GmbHComputer system and method of calculating a pharmacokinetic behavior of a chemical substance in insects
JP2007510206A (yes) *