PL343324A1 - Method and system for search of implicitly described virtual libraries - Google Patents

Method and system for search of implicitly described virtual libraries

Info

Publication number
PL343324A1
PL343324A1 PL99343324A PL34332499A PL343324A1 PL 343324 A1 PL343324 A1 PL 343324A1 PL 99343324 A PL99343324 A PL 99343324A PL 34332499 A PL34332499 A PL 34332499A PL 343324 A1 PL343324 A1 PL 343324A1
Authority
PL
Poland
Prior art keywords
search
described virtual
implicitly described
virtual libraries
libraries
Prior art date
Application number
PL99343324A
Inventor
Jonathan W Greene
John Mount
Original Assignee
Combichem
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 filed Critical Combichem
Publication of PL343324A1 publication Critical patent/PL343324A1/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)
PL99343324A 1998-03-27 1999-03-25 Method and system for search of implicitly described virtual libraries PL343324A1 (en)

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
US7975098P 1998-03-27 1998-03-27
US27299699A 1999-03-18 1999-03-18

Publications (1)

Publication Number Publication Date
PL343324A1 true PL343324A1 (en) 2001-08-13

Family

ID=26762386

Family Applications (1)

Application Number Title Priority Date Filing Date
PL99343324A PL343324A1 (en) 1998-03-27 1999-03-25 Method and system for search of implicitly 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
AU3116199A (en) 1999-10-18
WO1999050770A1 (en) 1999-10-07
IL138726A0 (en) 2001-10-31
NO20004831L (en) 2000-11-20

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