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A Novel QSPR Approach to Physicochemical Properties of the α-Amino Acids

Bono Lučić orcid id orcid.org/0000-0001-7232-2007 ; The Rugjer Bošković Institute, P.O.B. 1016, HR-10 001 Zagreb, The Republic of Croatia
Sonja Nikolić ; The Rugjer Bošković Institute, P.O.B. 1016, HR-10 001 Zagreb, The Republic of Croatia
Nenad Trinajstić ; The Rugjer Bošković Institute, P.O.B. 1016, HR-10 001 Zagreb, The Republic of Croatia
Davor Juretić ; Department of Natural Sciences and Arts, The University of Split, HR-58 000 Split, The Republic of Croatia
Albin Jurić ; Department of Chemistry, Agricultural Institute, HR-43 260 Križevci, The Republic of Croatia


Puni tekst: engleski pdf 17.805 Kb

str. 435-450

preuzimanja: 312

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Sažetak

A novel multivariate linear regression, based on the ordered orthogonalized connectivity basis and dominant descriptor analysis, is applied to several physicochemical properties of α-amino acids. Our results compare favourably with those based on the non-orthogonalized connectivity basis by Pogliani.

Ključne riječi

Hrčak ID:

136705

URI

https://hrcak.srce.hr/136705

Posjeta: 669 *