All Stories

  1. Breast milk is the ideal food for newborns and infants

    Article • Sestrinski glasnik, April 2016, Croatian Nurses Association (CNA)

    Dr Rudolf Kiralj

  2. Investigation on life quality in patients with myasthenia gravis in Croatia

    Article • Sestrinski glasnik, December 2014, Croatian Nurses Association (CNA)

    Dr Rudolf Kiralj

  3. Integral Sign Change Problem Check in Quantitative Structure-Activity/Property Relationships: A Tutorial

    Article • Croatica Chemica Acta, January 2014, Croatian Chemical Society

    Dr Rudolf Kiralj

  4. Is your QSAR/QSPR descriptor real or trash?

    Article • Journal of Chemometrics, October 2010, Wiley

    Dr Rudolf Kiralj

  5. ChemInform Abstract: Predicting Bond Lengths in Planar Benzenoid Polycyclic Aromatic Hydrocarbons: A Chemometric Approach.

    Article • ChemInform, May 2010, Wiley

    Dr Rudolf Kiralj

  6. Critical comparative analysis, validation and interpretation of SVM and PLS regression models in a QSAR study on HIV-1 protease inhibitors

    Article • Chemometrics and Intelligent Laboratory Systems, August 2009, Elsevier

    Dr Rudolf Kiralj

  7. Basic validation procedures for regression models in QSAR and QSPR studies: theory and application

    Article • Journal of the Brazilian Chemical Society, January 2009, FapUNIFESP (SciELO)

    Dr Rudolf Kiralj

  8. Simple Quantitative Structure−Property Relationship (QSPR) Modeling of17O Carbonyl Chemical Shifts in Substituted Benzaldehydes Compared to DFT and Empirical Approaches

    Article • The Journal of Physical Chemistry A, July 2008, American Chemical Society (ACS)

    Dr Rudolf Kiralj

  9. Comparative Chemometric and QSAR/SAR Study of Structurally Unrelated Substrates of a MATE Efflux Pump VmrA fromV. parahaemolyticus: Prediction of Multidrug Resistance

    Article • QSAR & Combinatorial Science, March 2008, Wiley

    Dr Rudolf Kiralj

  10. Extensive Chemometric Investigations of the Multidrug Resistance in Strains of the Phytopathogenic FungusPenicillium Digitatum

    Article • QSAR & Combinatorial Science, March 2008, Wiley

    Dr Rudolf Kiralj

  11. Chemometric analysis of the multidrug resistance in strains ofPenicillium digitatum1

    Article • SAR and QSAR in Environmental Research, January 2008, Taylor & Francis

    Dr Rudolf Kiralj

  12. Theoretical Study of Radical and Neutral Intermediates of Artemisinin Decomposition

    Article • Journal of Chemical Information and Modeling, January 2008, American Chemical Society (ACS)

    Dr Rudolf Kiralj

  13. QSPR Study of Passivation by Phenolic Compounds at Platinum and Boron-Doped Diamond Electrodes

    Article • Journal of The Electrochemical Society, January 2008, The Electrochemical Society

    Dr Rudolf Kiralj

  14. Conformational Study of (8α,8‘β)-Bis(substituted phenyl)-lignano-9,9‘-lactones by Means of Combined Computational, Database Mining, NMR, and Chemometric Approaches

    Article • The Journal of Physical Chemistry A, July 2007, American Chemical Society (ACS)

    Dr Rudolf Kiralj

  15. Estudo teórico da interação existente entre a artemisinina e o heme

    Article • Química Nova, February 2007, FapUNIFESP (SciELO)

    Dr Rudolf Kiralj

  16. Chemometric modeling of core-electron binding energies

    Article • Structural Chemistry, September 2006, Springer Science + Business Media

    Dr Rudolf Kiralj

  17. Molecular graphics approach to bacterial AcrB protein–β-lactam antibiotic molecular recognition in drug efflux mechanism

    Article • Journal of Molecular Graphics and Modelling, September 2006, Elsevier

    Dr Rudolf Kiralj

  18. The past, present, and future of chemometrics worldwide: some etymological, linguistic, and bibliometric investigations

    Article • Journal of Chemometrics, June 2006, Wiley

    Dr Rudolf Kiralj

  19. QSAR study ofβ-lactam antibiotic efflux by the bacterial multidrug resistance pump AcrB

    Article • Journal of Chemometrics, May 2004, Wiley

    Dr Rudolf Kiralj

  20. Artemisinin Derivatives with Antimalarial Activity againstPlasmodium falciparum Designed with the Aid of Quantum Chemical and Partial Least Squares Methods

    Article • QSAR & Combinatorial Science, November 2003, Wiley

    Dr Rudolf Kiralj

  21. Heteroaromaticity of Nucleobases. Bond Lengths as Multidimensional Phenomena.

    Article • ChemInform, August 2003, Wiley

    Dr Rudolf Kiralj

  22. A priori molecular descriptors in QSAR: a case of HIV-1 protease inhibitors

    Article • Journal of Molecular Graphics and Modelling, June 2003, Elsevier

    Dr Rudolf Kiralj

  23. QSAR of Progestogens: Use ofa Priori and Computed Molecular Descriptors and Molecular Graphics

    Article • QSAR & Combinatorial Science, May 2003, Wiley

    Dr Rudolf Kiralj

  24. On Heteroaromaticity of Nucleobases. Bond Lengths as Multidimensional Phenomena†

    Article • Journal of Chemical Information and Modeling, May 2003, American Chemical Society (ACS)

    Dr Rudolf Kiralj

  25. A priori molecular descriptors in QSAR: a case of HIV-1 protease inhibitors

    Article • Journal of Molecular Graphics and Modelling, March 2003, Elsevier

    Dr Rudolf Kiralj

  26. Molecular graphics-structural and molecular graphics descriptors in a QSAR study of 17-alpha-acetoxyprogesterones

    Article • Journal of the Brazilian Chemical Society, January 2003, FapUNIFESP (SciELO)

    Dr Rudolf Kiralj

  27. Combined computational and chemometric study of 1H-indole-3-acetic acid

    Article • International Journal of Quantum Chemistry, January 2003, Wiley

    Dr Rudolf Kiralj

  28. Predicting Bond Lengths in Planar Benzenoid Polycyclic Aromatic Hydrocarbons:  A Chemometric Approach†

    Article • Journal of Chemical Information and Modeling, May 2002, American Chemical Society (ACS)

    Dr Rudolf Kiralj

  29. 7-Oxanorbornene cycloadducts. X-Ray, molecular orbital and photoelectron spectroscopic study †

    Article • Journal of the Chemical Society Perkin Transactions 2, January 2000, Royal Society of Chemistry

    Dr Rudolf Kiralj

  30. Articulation

    Article • Journal of Chemical Education, November 1998, American Chemical Society (ACS)

    Dr Rudolf Kiralj

  31. Bond lengths and bond orders in benzenoid hydrocarbons and related systems: a comparison of valence bond and molecular orbital treatments

    Article • Journal of Molecular Structure THEOCHEM, March 1998, Elsevier

    Dr Rudolf Kiralj

  32. Three-Dimensional Representation of Surface Spherical Harmonics and Their Squares Using Normal Projections: Some Comments on the Functions - Preparing for an Undergraduate Exercise

    Article • Journal of Chemical Education, March 1998, American Chemical Society (ACS)

    Dr Rudolf Kiralj

  33. Bond length–bond order relations and calculated geometries for some benzenoid aromatics, including phenanthridine. Structures of 5,6-dimethylphenanthridinium triflate, [N-(6-phenanthridinylmethyl)-aza-18-crown-6-κ5 <...

    Article • Acta Crystallographica Section B Structural Science, October 1996, International Union of Crystallography

    Dr Rudolf Kiralj

  34. The structure and tautomeric properties of 2-(3-pyridylmethyliminomethyl)phenol

    Article • Journal of Molecular Structure, July 1994, Elsevier

    Dr Rudolf Kiralj

  35. Fluoroionophores with phenanthridinyl units

    Article • Tetrahedron Letters, December 1993, Elsevier

    Dr Rudolf Kiralj

  36. Chiroptical, structural and catalytic properties of S-α-methyl-[1-(substituted phenyl)-2-(2′-pyrido)-1-ethylidene] benzylamines and their Rh(I) and Cu(I) complexes

    Article • Tetrahedron Asymmetry, March 1993, Elsevier

    Dr Rudolf Kiralj