Title of article
QSAR Study on 13C NMR chemical shifts on carbinol carbon atoms Original Research Article
Author/Authors
Mona Jaiswal، نويسنده , , Padmakar Khadikar، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2004
Pages
6
From page
1793
To page
1798
Abstract
QSAR calculations of 13C NMR chemical shifts (ppm, TMS=0) on carbinol carbon atoms have been attempted using a large set of distance based topological indices: Wiener (W)-, Szeged (Sz)-, PI (Padmakar-Ivan) and Connectivity (mχ, mχv) indices. The regression analysis has shown that excellent results are obtained in multiparametric regression. The predictive power of the proposed models are discussed using cross-validated parameters.
Keywords
Carbinols , 13C NMR , PI (Padmakar-Ivan) index , Regression analysis , Cross-validation , Pogliani Q factor
Journal title
Bioorganic and Medicinal Chemistry
Serial Year
2004
Journal title
Bioorganic and Medicinal Chemistry
Record number
1302994
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