ISSN 0253-2778

CN 34-1054/N

open
Free to Publish. Free to Read.
Open AccessOpen Access JUSTC

Prediction of pKa of organic compounds in acetonitrile with QSPR method

  • College of Chemistry and Environmental Engineering, Chongqing Three Georges University, Chongqing 404100, China

Cite this:
https://doi.org/10.3969/j.issn.0253-2778.2010.10.003
  • Received Date: 12 June 2010
  • Rev Recd Date: 14 October 2010
  • Publish Date: 31 October 2010
    Abstract

  • Abstract

    The quantitative structure-property relationships (QSPR) model for pKa values of 43 organic compounds in acetonitrile were established by using electrotopological state indices as descriptors. Leave-one-out cross validation was performed, which confirmed the good stability and powerful prediction of this model. A satisfactory relationship is expressed as

    Abstract

    The quantitative structure-property relationships (QSPR) model for pKa values of 43 organic compounds in acetonitrile were established by using electrotopological state indices as descriptors. Leave-one-out cross validation was performed, which confirmed the good stability and powerful prediction of this model. A satisfactory relationship is expressed as
    • FullText(HTML)
  • loading
    • References(0)
    • Supplements(0)
    • Related Articles
    • Track Citations
  • 加载中

Catalog

    |
    Get Citation
    PDF
    XML
    Recommended articles
    TrendMD
    Volume 40 Issue 10 page: 1004-1010
    Cover

    Article Metrics

    Article views (225) PDF downloads(106)
    Proportional views

    Copyright © Editorial Office of JUSTC, All Rights Reserved. 皖ICP备05002528号

    Supported by: Beijing Renhe Information Technology Co. Ltd    

    /

    DownLoad:  Full-Size Img  PowerPoint
    Return
    Return