Chemometrics and Intelligent Laboratory Systems Vol. 47, No. 2

Special Issue: CC'97; Conferentia Chemometrica, Budapest, Hungary, August 21-23, 1997, edited by J .Inczedy and D.L. Massart

CONTENTS

Foreword
143
The prominent role of chemical information in the development of western civilisation
J .Inczedy  (Veszprem, Hungary).
145

Multivariate techniques
 
Inhibitory effect of nonionic surfactants on sunflower downy mildew. A quantitative structure-activity relationship study
G.Oros, T.Cserhati and E.Forgacs  (Budapest, Hungary).
149
Use of stepwise regression analysis and cluster analysis for study of interaction between nonionic surfactants
E.Forgacs and T.Cserhati  (Budapest, Hungary)
157
Multiple regression for environmental data: nonlinearities and prediction bias
P.Gelady (Umea, Sweden), L.Hadjiiski and P.Hopke (Potsdam, NY, USA)
165
Prediction of the aging of polymeric materials
E.V. Bystritskaya, A.L. Pomerantsev and O.Ye.Rodionova  (Moscow, Russian Federation)
175
Quantitative analysis of near infrared spectra by wavelet coefficient regression using genetic algorithm
U.Depczynski, K.Jetter (Stuttgart, Germay), K.Mott and Niemoller (Duisburg, Germany)
179
A new criterion for simple-structure transformations of core arrays in N-way principal component analysis
R.Henrion (Berlin, Germany) and C.A.Anderson (Copenhagen, Denmark)
189

Quantitative Structure-Activity Relationship
 
Quantitative structure-retention relationships VI. Thermodynamics of Kovats retention index--boiling point correlations for alkylbenzenes in gas chromatography
K.Heberger  (Budapest, Hungary) and T.Kovalska (Katowice, Poland)
205
Shape recognition and chirality measure: reestablishing the link between similarity and dissimilarity in discrete space
M. Raji and A.Cosse-Barbi (Paris, France)
219
Quantitative composition -- property modelling of rubber mixtures by using artificial neural networks
A.P.Borosy (Budapest, Hungary)
227
3D QSAR analysis of novel 5-HT1A receptor ligands
A.P.Borosy, M.Morvay and P.Matyus (Budapest, Hungary)
239

Classical Chemometrics
 
Modelling of solute retention in the reversed-phase high-performance liquid chromatography system with the chemically bonded 3-cyanopropyl stationary phase
W.Prus (Bielsko-Biala, Poland), Y.Vanden Heyden, P.Vankeerberhen (Brussels, Belgium), P.Kus (Katowice, Poland), D.L.Massart (Brussels, Belgium) and T.Kovalska (Katowice, Poland)
253
Chemometric treatment of chemical engineering data: a case study
L.Botar, A.Nemeth, P.Szepesvary and T.Vidoczy (Budapest, Hungary)
267
Nonlinear calibration by the standard addition method
P.Koscielniak (Krakow, Poland)
275
Oceanographic characterization of northern Sao Paulo Coast: a chemometric study
M.M.C.Ferreira, C.G.Faria (Campinas, Brazil) and E.T.Paes (Niteroi, Brazil)
289

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