Quantitative Structure‐Retention Relationship Study on the Binding of Organic Solvents to the Corn Protein, Zein

References

• Vandeginste , B. G.M.D. , Massart , L. , Buydens , L. M.C. , De Jong , S. P. , Lewi , P. J. and Smeyers‐Verbeke , J. 1998 . Handbook of Chemometrics and Qualimetrics: Part B. Data Handling in Science and Technology Vol. 20B , Amsterdam : Elsevier .
   Google Scholar
• Hotelling , H. 1936 . Relationships between two sets of variates . Biometrika , 28 : 321 – 327 .
   Web of Science ®Google Scholar
• Livingstone , D. J. , Martyn , M. G. , Huuskonen , J. J. and Salt , D. W. 2001 . Simultaneous prediction of aqueous solubility and octanol/water partition coefficient based on descriptors derived from molecular structure . J. Comp‐Aid. Mol. Des. , 15 : 741 – 752 .
   PubMed Web of Science ®Google Scholar
• Butt , M. S. , Faqir , F. M. , Van Zuilichem , D. J. and Shaheen , M. 2001 . Development of predictive models for end‐use quality of spring wheats through canonical analysis . Int. J. Food Sci. Technol. , 36 : 433 – 440 .
   Web of Science ®Google Scholar
• Campbell , B. , Sayer , J. A. , Forst , P. , Vermeulen , S. , Perez , M. R. , Cunningham , A. and Prabhu , R. 2002 . Assessing the performance of natural resource systems . Conserv. Ecol. , 5 : 309 – 336 .
   Google Scholar
• Cavadias , G. S. , Ouarda , T. B.M.J. , Bobee , B. and Girard , C. 2001 . A canonical correlation approach to the determination of homogeneous regions for regional flood estimation of ungauged basins . Hydr. Sci. J.‐J. Sci. Hydr. , 46 : 499 – 512 .
   Web of Science ®Google Scholar
• Landman , W. A. and Tennant , W. J. 2000 . Statistical downscaling of monthly forecast . Int. J. Climatol. , 20 : 1521 – 1532 .
   Web of Science ®Google Scholar
• Onwuegbuzie , A. J. 2000 . Statistics anxiety and role of self‐perceptions . J. Educat. Res. , 93 : 323 – 330 .
   Web of Science ®Google Scholar
• Kasap , R. 1999 . An analysis of temperature data by using scalar component models . Environmetrics , 10 : 625 – 631 .
   Google Scholar
• Hitzl , W. , Henrich , M. , Kessel , M. and Insam , H. 1997 . Application of multiariate analysis of variance and related techniques in soil studies with substrate utilization tests . J. Microbiol. Meth. , 30 : 81 – 89 .
   Google Scholar
• Friedman , L. and Sinuany‐Stern , Z. 1997 . Scaling units via the canonical correlation analysis in the DEA context . Eur. J. Oper. Res. , 100 : 629 – 637 .
   Web of Science ®Google Scholar
• Cserháti , T. and Forgács , E. 1995 . Use of canonical correlation analysis for the evaluation of chromatographic retention data . Chemom. Intell. Lab. Syst. , 28 : 305 – 313 .
   Web of Science ®Google Scholar
• Cserháti , T. , Forgács , E. and Bordás , B. 1993 . Comparison of the retention behaviour of phenol derivatives on porous graphitized and octadecylsilica columns . Chromatographia , 36 : 19 – 26 .
   Google Scholar
• Jakab , A. , Héberger , K. and Forgács , E. 2002 . Comparative analysis of different plant oils by high‐performance liquid chromatography‐atmospheric pressure chemical ionization mass spectrometry . J. Chromatogr. A , 976 : 255 – 263 .
   PubMed Web of Science ®Google Scholar
• Agatonovic‐Kustrin , A. , Tucker , I. G. , Zecevic , M. and Zivanovic , L. J. 2000 . Prediction of drug transfer into human milk from theoretically derived descriptors . Anal. Chim. Acta , 418 : 181 – 195 .
   Web of Science ®Google Scholar
• Egan , W. J. and Lauri , G. 2002 . Prediction of intestinal permeability . Adv. Drug Deliv. Rev. , 54 : 273 – 289 .
   PubMed Web of Science ®Google Scholar
• Lipinski , C. A. , Lombardo , F. , Dominy , B. W. and Feeney , P. J. 2001 . Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings . Adv. Drug Deliv. Rev. , 46 : 3 – 26 .
   PubMed Web of Science ®Google Scholar
• Abraham , M. H. , Poole , C. H. and Poole , S. K. 1999 . Classification of stationary phases and other materials by gas chromatography . J. Chromatogr. A , 842 : 79 – 114 .
   Web of Science ®Google Scholar
• Héberger , K. 1999 . Evaluation of polarity indicators and stationary phases by principal component analysis in gas‐liquid chromatography . Chemom. Intell. Lab. Syst. , 47 : 41 – 49 .
   Web of Science ®Google Scholar
• Estrada , E. and Uriarte , E. 2001 . Recent advances on the role of topological indices in drug discovery research . Curr. Med. Chem. , 8 : 1573 – 1588 .
   PubMed Web of Science ®Google Scholar
• Wold , S. 1995 . “ PLS for multivariate linear modeling ” . In Chemometric Methods in Molecular Design Edited by: van de Waterbeemd , H. 195 – 218 . Weinheim : VCH .
   Google Scholar
• Héberger , K. , Görgényi , M. and Sjöström , M. 2000 . Partial least squares modeling of retention data of oxo compounds in gas chromatography . Chromatographia , 51 : 595 – 600 .
   Google Scholar
• Héberger , K. and Rajkó , R. 1997 . “ Discrimination of statistically equivalent variables in quantitative structure‐activity relationships ” . In QSAR in Environmental Sciences Edited by: Chen , F. and Schüürmann , G. Vol. VII , 425 – 433 . SETAC Press . SETAC Special Publication Series
   Google Scholar
• Rajkó , R. and Héberger , K. 2001 . Conditional Fisher's exact test as a selection criterion for pair‐correlation method. Type I and type II errors . Chemom. Intell. Lab. Sys. , 57 : 1 – 14 .
   Web of Science ®Google Scholar
• Héberger , K. and Rajkó , R. 2002 . Variable selection using pair‐correlation method. Environmental applications . SAR QSAR Env. Res. , 13 : 541 – 554 .
   PubMed Web of Science ®Google Scholar
• Héberger , K. and Rajkó , R. 2002 . Generalization of pair‐correlation method (PCM) for nonparametric variable selection . J. Chemom. , 16 : 436 – 443 .
   Web of Science ®Google Scholar
• Forgács , E. , Kósa , A. , Csiktusnádi Kiss , G. , Cserháti , T. , Kaliszan , R. , Haber , P. and Nasal , A. 1998 . Use of a modified nonlinear mapping method in quantitative structure retention relationship study . J. Liq. Chromatogr. & Rel. Technol. , 21 : 2523 – 2534 .
   Web of Science ®Google Scholar
• Cserháti , T. , Forgács , E. , Kósa , A. , Csiktusnádi Kiss , G. , Kaliszan , R. , Haber , P. , Nasal , A. and Örsi , F. 1999 . Binding of environmental pollutants to the wheat protein gliadin studied by high‐performance liquid chromatography . J. Chromatogr. Sci. , 37 : 159 – 164 .
   Web of Science ®Google Scholar
• Rücker , G. and Rücker , C. 1999 . On topological indices, boiling points, and cycloalkanes . J. Chem. Inf. Comp. Sci. , 39 : 788 – 802 .
   Google Scholar
• Frecer , V. , Kabelac , M. , De Nardi , P. , Pricl , S. and Miertus , S. 2004 . Structure‐based design of inhibitors of NS3 serine protease of hepatities C virus . J. Mol. Graphics Modell. , 22 : 209 – 220 .
   Google Scholar
• Hilal , S. H. , Karickhoff , S. W. and Carreira , L. A. 2003 . Prediction of the vapor pressure boiling point, heat of vaporization and diffusion coefficient of organic compounds . Quant. Struct‐Act. Relat. Comb. Sci. , 22 : 565 – 574 .
   Google Scholar
• Worall , F. and Thomsen , M. 2004 . Quantum vs topological descriptors in the development of molecular models of groundwater pollution by pesticides . Chemosphere , 54 : 585 – 596 .
   Google Scholar