NO20004831L - Procedure and system for searching indirectly described virtual libraries - Google Patents

Procedure and system for searching indirectly described virtual libraries

Info

Publication number
NO20004831L
NO20004831L NO20004831A NO20004831A NO20004831L NO 20004831 L NO20004831 L NO 20004831L NO 20004831 A NO20004831 A NO 20004831A NO 20004831 A NO20004831 A NO 20004831A NO 20004831 L NO20004831 L NO 20004831L
Authority
NO
Norway
Prior art keywords
searching
procedure
described virtual
present
virtual libraries
Prior art date
Application number
NO20004831A
Other languages
Norwegian (no)
Other versions
NO20004831D0 (en
Inventor
Jonathan W Greene
John Mount
Original Assignee
Combichem 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 Combichem Inc filed Critical Combichem Inc
Publication of NO20004831D0 publication Critical patent/NO20004831D0/en
Publication of NO20004831L publication Critical patent/NO20004831L/en

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
    • G16C20/60—In silico combinatorial chemistry
    • 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
    • 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
    • B01J2219/0068—Means for controlling the apparatus of the process
    • B01J2219/00686—Automatic
    • B01J2219/00689—Automatic using computers
    • 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

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)
  • Crystallography & Structural Chemistry (AREA)
  • Medicinal Chemistry (AREA)
  • Library & Information Science (AREA)
  • Physics & Mathematics (AREA)
  • Molecular Biology (AREA)
  • Biophysics (AREA)
  • Biochemistry (AREA)
  • Biotechnology (AREA)
  • Evolutionary Biology (AREA)
  • Medical Informatics (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Information Retrieval, Db Structures And Fs Structures Therefor (AREA)
  • Organic Low-Molecular-Weight Compounds And Preparation Thereof (AREA)
  • Investigating Or Analysing Biological Materials (AREA)

Abstract

Ifølge foreliggende oppfinnelse kan det tilveiebringes effektive teknikker for søking etter kjemiske entiteter som har ønskede egenskaper. I en spesiell utførel-sesform av foreliggende oppfinnelse er det tilveiebrakt teknikker for søking i et vir-tuelt bibliotek etter forbindelser for å identifisere komponentreaktanter som, når de kombineres, kan gi forbindelser med et sett ønskede egenskaper. Fremgangsmå-ter og systemer ifølge foreliggende oppfinnelse gjør det mulig for forskere og vi-tenskapsfolk å identifisere lovende nye kjemiske forbindelser ved leting etter nye. og bedre stoffer.According to the present invention, effective techniques can be provided for searching for chemical entities having desired properties. In a particular embodiment of the present invention, techniques are provided for searching a virtual library for compounds to identify component reactants which, when combined, can provide compounds with a set of desired properties. Methods and systems of the present invention enable scientists and scientists to identify promising new chemical compounds in the search for new ones. and better drugs.

NO20004831A 1998-03-27 2000-09-26 Procedure and system for searching indirectly described virtual libraries NO20004831L (en)

Applications Claiming Priority (3)

Application Number Priority Date Filing Date Title
US7975098P 1998-03-27 1998-03-27
US27299699A 1999-03-18 1999-03-18
PCT/US1999/006611 WO1999050770A1 (en) 1998-03-27 1999-03-25 Method and system for search of implicitly described virtual libraries

Publications (2)

Publication Number Publication Date
NO20004831D0 NO20004831D0 (en) 2000-09-26
NO20004831L true NO20004831L (en) 2000-11-20

Family

ID=26762386

Family Applications (1)

Application Number Title Priority Date Filing Date
NO20004831A NO20004831L (en) 1998-03-27 2000-09-26 Procedure and system for searching indirectly described virtual libraries

Country Status (9)

Country Link
EP (1) EP1066578A1 (en)
JP (1) JP2004515447A (en)
AU (1) AU3116199A (en)
BR (1) BR9909179A (en)
CA (1) CA2326134A1 (en)
IL (1) IL138726A0 (en)
NO (1) NO20004831L (en)
PL (1) PL343324A1 (en)
WO (1) WO1999050770A1 (en)

Families Citing this family (4)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US7657378B1 (en) * 2000-03-30 2010-02-02 Council Of Scientific & Industrial Research Computer based method for identifying peptides useful as drug targets
EP1721268A1 (en) * 2004-03-05 2006-11-15 Applied Research Systems ARS Holding N.V. Method for fast substructure searching in non-enumerated chemical libraries
EP1628234A1 (en) * 2004-06-07 2006-02-22 Universita' Degli Studi di Milano-Bicocca Method of construction and selection of virtual libraries in combinatorial chemistry
US10192010B1 (en) 2016-05-25 2019-01-29 X Development Llc Simulation of chemical reactions via multiple processing threads

Family Cites Families (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CA2245935C (en) * 1996-01-26 2004-07-20 David E. Patterson Method of creating and searching a molecular virtual library using validated molecular structure descriptors
EP0818744A3 (en) * 1996-07-08 1998-07-08 Proteus Molecular Design Limited Process for selecting candidate drug compounds

Also Published As

Publication number Publication date
EP1066578A1 (en) 2001-01-10
JP2004515447A (en) 2004-05-27
BR9909179A (en) 2001-10-16
CA2326134A1 (en) 1999-10-07
NO20004831D0 (en) 2000-09-26
PL343324A1 (en) 2001-08-13
AU3116199A (en) 1999-10-18
WO1999050770A1 (en) 1999-10-07
IL138726A0 (en) 2001-10-31

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