AU2001286601A1 - Method, system, and computer program product for determining properties of combinatorial library products from features of library building blocks - Google Patents

Method, system, and computer program product for determining properties of combinatorial library products from features of library building blocks

Info

Publication number
AU2001286601A1
AU2001286601A1 AU2001286601A AU8660101A AU2001286601A1 AU 2001286601 A1 AU2001286601 A1 AU 2001286601A1 AU 2001286601 A AU2001286601 A AU 2001286601A AU 8660101 A AU8660101 A AU 8660101A AU 2001286601 A1 AU2001286601 A1 AU 2001286601A1
Authority
AU
Australia
Prior art keywords
features
library
computer program
program product
building blocks
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.)
Abandoned
Application number
AU2001286601A
Other languages
English (en)
Inventor
Dimitris K. Agrafiotis
Victor S. Lobanov
Francis R Salemme
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.)
Individual
Original Assignee
Individual
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 Individual filed Critical Individual
Publication of AU2001286601A1 publication Critical patent/AU2001286601A1/en
Abandoned legal-status Critical Current

Links

Classifications

    • G—PHYSICS
    • G06—COMPUTING; CALCULATING OR COUNTING
    • G06N—COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N20/00—Machine learning
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING OR COUNTING
    • G06N—COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00—Computing arrangements based on biological models
    • G06N3/02—Neural networks
    • 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
    • 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
    • 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
    • B01J2219/00695—Synthesis control routines, e.g. using computer programs
    • 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
    • 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
    • B01J2219/00702—Processes involving means for analysing and characterising the products
    • 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
    • B01J2219/00718—Type of compounds synthesised
    • B01J2219/0072—Organic compounds

Landscapes

  • Engineering & Computer Science (AREA)
  • Theoretical Computer Science (AREA)
  • Software Systems (AREA)
  • Computing Systems (AREA)
  • Physics & Mathematics (AREA)
  • Mathematical Physics (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • General Physics & Mathematics (AREA)
  • General Engineering & Computer Science (AREA)
  • Artificial Intelligence (AREA)
  • Data Mining & Analysis (AREA)
  • Evolutionary Computation (AREA)
  • Medical Informatics (AREA)
  • Biomedical Technology (AREA)
  • Computer Vision & Pattern Recognition (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Health & Medical Sciences (AREA)
  • Chemical & Material Sciences (AREA)
  • Biophysics (AREA)
  • Computational Linguistics (AREA)
  • General Health & Medical Sciences (AREA)
  • Molecular Biology (AREA)
  • Investigating Or Analysing Biological Materials (AREA)
  • Image Analysis (AREA)
AU2001286601A 2000-08-22 2001-08-22 Method, system, and computer program product for determining properties of combinatorial library products from features of library building blocks Abandoned AU2001286601A1 (en)

Applications Claiming Priority (7)

Application Number Priority Date Filing Date Title
US22668200P 2000-08-22 2000-08-22
US60/226,682 2000-08-22
US23593700P 2000-09-28 2000-09-28
US60/235,937 2000-09-28
US27423801P 2001-03-09 2001-03-09
US60/274,238 2001-03-09
PCT/US2001/026144 WO2002017149A2 (fr) 2000-08-22 2001-08-22 Procede, systeme et progiciel servant a determiner des proprietes de produits d'une bibliotheque combinatoire a partir d'elements de modules de bibliotheque

Publications (1)

Publication Number Publication Date
AU2001286601A1 true AU2001286601A1 (en) 2002-03-04

Family

ID=27397648

Family Applications (1)

Application Number Title Priority Date Filing Date
AU2001286601A Abandoned AU2001286601A1 (en) 2000-08-22 2001-08-22 Method, system, and computer program product for determining properties of combinatorial library products from features of library building blocks

Country Status (6)

Country Link
US (2) US6834239B2 (fr)
EP (1) EP1350193A2 (fr)
JP (1) JP2004507821A (fr)
AU (1) AU2001286601A1 (fr)
CA (1) CA2419600A1 (fr)
WO (1) WO2002017149A2 (fr)

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US7725299B2 (en) * 2004-03-01 2010-05-25 Purdue Research Foundation Multi-tier and multi-domain distributed rapid product configuration and design system
US7702467B2 (en) * 2004-06-29 2010-04-20 Numerate, Inc. Molecular property modeling using ranking
US8103606B2 (en) * 2006-12-08 2012-01-24 Medhat Moussa Architecture, system and method for artificial neural network implementation
CN112912884B (zh) * 2018-10-30 2023-11-21 株式会社力森诺科 材料设计装置、材料设计方法和材料设计程序
US10515715B1 (en) 2019-06-25 2019-12-24 Colgate-Palmolive Company Systems and methods for evaluating compositions
FR3103047B1 (fr) * 2019-11-07 2021-11-26 Thales Sa Procede et dispositif d'apprentissage par reseau de neurones artificiels pour l'aide a l'atterrissage d'aeronef

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Also Published As

Publication number Publication date
WO2002017149A8 (fr) 2003-09-04
WO2002017149A2 (fr) 2002-02-28
US20020029114A1 (en) 2002-03-07
JP2004507821A (ja) 2004-03-11
US6834239B2 (en) 2004-12-21
CA2419600A1 (fr) 2002-02-28
US20050153364A1 (en) 2005-07-14
EP1350193A2 (fr) 2003-10-08
WO2002017149A3 (fr) 2003-07-24

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