Prediction of gas chromatographic retention indices using variable connectivity index

Acta Chimica Slovenica

Volumn 48, Issue 2, 2001, Pages 169-180

  Randić, Milan ^a   Basak, Subash C ^b   Pompe, Matevž ^c   Novič, Marjana ^d  

^a DRAKE UNIVERSITY   (United States)

^b UNIVERSITY OF MINNESOTA DULUTH   (United States)

^c UNIVERSITY OF LJUBLJANA   (Slovenia)

^d NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0035533529     PISSN: 13180207     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (16)

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2. M. Karelson, V. S. Lobanov, A. R. Katritzky, Qunatum-chemical descriptors in QSAR/QSPR studies. Chem. Rev. 1996, 96, 1027-1043.
3. R. Todeschini, V. Consonni, The Handbook of Molecular Descriptors, Series of Methods and Principles in Medicinal Chemistry - Vol. 11, Eds. R. Mannhold, H. Kubinyi, G. Timmerman, Wiley-VCH, New York, 2000.
4. M. Randić, Novel Graph Theoretical Approach to Heteroatom in Quantitative Structure-Activity Relationship, Chemometrics Intel. Lab. Syst. 1991, 10, 213-227.
5. M. Randić, On Computation of Optimal Parameters for Multivariate Analysis of Structure-Property Relationship, J. Comput. Chem. 1991, 12, 970-980.
6. M. Randić and J. Cz. Dobrowolski, Optimal Molecular Connectivity Descriptors for Nitrogen-Containing Molecules, Int. J. Quant. Chem. 1998, 70, 1209-1215.
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8. M. Randić and S. C. Basak, On construction of high quality structure-property-activity regressions. Boiling points of sulfide, J. Chem. Inf. Comput. Sci. (submitted)
9. M. Randić, D. Mills, S. C. Basak, On characterization of physical properties of amino acids, Int. J. Quantum. Chem. 2000, 80, 1199-1209.
10. M. Pompe and M. Novič, Prediction of gas-chromatographic retention indices using topological descriptors, J. Chem. Inf. Comput. Sci. 1999, 39, 59.
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12. A. R, Katritzky, V. Lobanov, and M. Karelson, CODESSA (COmprehensive DEscriptors for Structural and Statistical Analysis), University of Florida, Gainesville.
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14. M. Randić, Resolution of ambiguities in structure-property studies by use of orthogonal descriptors. J. Chem. Inf Compuf. Sci. 1991, 31, 311-370.
15. M. Randić, Fitting of non linear regressions by orthogonalized power series. J. Comput., Chem. 1993, 14, 363-370.
16. M. Randić, Curve fitting paradox. Int. J. Quant. Chem: Quant. Biol. Symp . 1994, 21, 215-225.