From data to knowledge: Chemical data management, data mining, and modeling in polymer science

被引：21
作者：
Adams, N
Schubert, US
机构：
[1] Eindhoven Univ Technol, Lab Macromol Chem & Nanosci, NL-5600 MB Eindhoven, Netherlands
[2] DPI, NL-5600 MB Eindhoven, Netherlands
来源：
JOURNAL OF COMBINATORIAL CHEMISTRY | 2004年 / 6卷 / 01期
关键词：
D O I：
10.1021/cc034021b
中图分类号：
O69 [应用化学];
学科分类号：
081704 ;
摘要：
Data need to be transformed into knowledge for the greatest possible benefit to be derived from combinatorial and high-throughput experimentation. This review provides an overview of recent applications of data handling and data mining techniques in polymer science and discusses the development of quantitative structure - property relationships.
引用
收藏
页码：12 / 23
页数：12
相关论文
共 102 条
  • [41] Combinatorial materials research in the polymer industry: Speed versus flexibility
    Iden, R
    Schrof, W
    Hadeler, J
    Lehmann, S
    [J]. MACROMOLECULAR RAPID COMMUNICATIONS, 2003, 24 (01) : 63 - 72
  • [42] QSRR correlation of free-radical polymerization chain-transfer constants for styrene
    Ignatz-Hoover, F
    Petrukhin, R
    Karelson, M
    Katritzky, AR
    [J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2001, 41 (02): : 295 - 299
  • [43] COMPUTATION AND MANAGEMENT OF CHEMICAL-PROPERTIES IN CACTVS - AN EXTENSIBLE NETWORKED APPROACH TOWARD MODULARITY AND COMPATIBILITY
    IHLENFELDT, WD
    TAKAHASHI, Y
    ABE, H
    SASAKI, S
    [J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1994, 34 (01): : 109 - 116
  • [44] Enhanced CACTVS browser of the open NCI database
    Ihlenfeldt, WD
    Voigt, JH
    Bienfait, B
    Oellien, F
    Nicklaus, MC
    [J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2002, 42 (01): : 46 - 57
  • [45] CODESSA version 2.13 for Windows
    Ivanciuc, O
    [J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1997, 37 (02): : 405 - 406
  • [46] Jandeleit B, 1999, ANGEW CHEM INT EDIT, V38, P2495
  • [47] Jandeleit B., 1998, CATTECH, V2, P101
  • [48] NEURAL-NETWORK PREDICTION OF GLASS-TRANSITION TEMPERATURES FROM MONOMER STRUCTURE
    JOYCE, SJ
    OSGUTHORPE, DJ
    PADGETT, JA
    PRICE, GJ
    [J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1995, 91 (16): : 2491 - 2496
  • [49] Quantitative structure-property relationship (QSPR) correlation of glass transition temperatures of high molecular weight polymers
    Katritzky, AR
    Sild, S
    Lobanov, V
    Karelson, M
    [J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1998, 38 (02): : 300 - 304
  • [50] Prediction of polymer glass transition temperatures using a general quantitative structure-property relationship treatment
    Katritzky, AR
    Rachwal, P
    Law, KW
    Karelson, M
    Lobanov, VS
    [J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1996, 36 (04): : 879 - 884
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