- Editorial
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- 1
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- Invited papers
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- Chemometrics , present and future success
- S. Wold and M. Sjostrom (Umea, Sweden).
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- 3
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- The Heisenberg modelling procedure and application to nonlinear modelling
- A. Hoskuldsson (Lyngby, Denmark)
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- 15
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- Chemometrics in food science—a demonstration of the feasibility of a highly
exploratory, inductive evaluation strategy of fundamental scientific significance
- L.Munck, L.Norgaard,S.B.Engelsen,R.Bro and C.A.Andersson(Frederiksberg, Denmark)
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- 31
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- Acoustic chemometrics—from noise to information
- K.H. Esbensen, M. Halstensen, T. Tonnesen Lied, A. Saudland, J. Svalestuen, S. De
Silva and B. Hope (Porsgrunn, Norway)
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- 61
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- Combining soft and hard modelling in chemical kinetic models
- H. Haario (Helsinki, Finland) and V.-M. Taavitsainen (Vantaa, Finland)
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- 77
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- Contributed papers
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- Validation and verification of regression in small data sets
- U. Martens (Trondheim, Norway), Lyngby, (Denmark) and P. Dardenne (Libramont,
Belgium)
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- 99
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- Review of partial least squares regression prediction error in Unscrambler
- M. Hoy, K. Steen and H. Martens (Trondheim, Norway)
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- 123
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- Dynamic system multivariate calibration
- R.Ergon (Porsgrunn, Norway)
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- 135
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- Importance of the first design matrix in experimental simplex optimization
- S Oberg (Karlskrona, Sweden)
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- 147
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- A novel method for examination of the variable contribution to computational
neural network models
- L.I. Nord (Uppsala, Sweden) and S.P.Jacobsson(Sodertalje, Sweden) .
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- 153
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- Data augmentation: an alternative approach to the analysis of spectroscopic data
- A.K.Conlin, E.B. Martin and A.J. Morris (Newcastle upon Tyne, UK)
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- 161
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- Orthogonal signal correction of near-infrared spectra
- S.Wold, H.Antti(Umea, Sweden), F.Lindgren (Lund, Sweden) and J.Ohman(Umea,
Sweden)
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- 175
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- Application of chemometric techniques to the study of ab initio rotational
constants of linear molecules
- J.B.P. Da Silva, B.B. Neto, M.N. Ramos (Recife, Brazil) and R.E. Bruns (Campinas,
Brazil).
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- 187
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- Robust grey model based on genetic algorithms and its application to prediction
for chromatographic retention
- X-T. Zhang, H.-Y. Zhu and H.-B. Zhang (Tsingtao, China)
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- 197
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- Integration of the variogram using spline functions for sampling error estimation
- R. Heikka and P. Minkkinen (Lappeenranta, Finland)
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- 205
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- Fuzzy clustering of 627 alcohols, guided by a strategy for cluster analysis of
chemical compounds for combinatorial chemistry
- A.Linusson, S. Wold (Urnea, Sweden) and B. Norden (Moindal, Sweden) .
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- 213
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- An evaluation of orthogonal signal correction applied to calibration transfer of
near infrared spectra
- J.Sjoblom (Moindal, Sweden), O. Svensson (Goteborg, Sweden), M. Josefson
(Molndal, Sweden), H. Kullberg (Sodertalje, Sweden) and S. Wold (Urnei, Sweden)
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- 229
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- The identification of novel biomarkers of renal toxicity using automatic data
reduction techniques and PCA of proton NMR spectra of urine
- E. Holmes, J.K. Nicholson, A.W. Nicholls, J.C. Undon (London, UK), S.C. Connor,
S. Polley and J. Connelly (New Frontiers Science Park, UK)
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- 245
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- Prediction of liquid chromatographic retention times of steroids by
three-dimensional structure descriptors and partial least squares modeling
- L.I. Nord, D. Fransson and S.P. Jacobsson (Uppsala, Sweden)
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- 257
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- Optimization of a granulation and tabletting process by sequential design and
multivariate analysis
- R. Bergman, M.E. Johansson, T. Lundstedt, E. Seifert and J. Aberg (Uppsala,
Sweden)
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- 271
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- A spectroscopic method for determining lignin content of softwood and hardwood
kraft pulps
- P. Malkavaara and R. Alen (Jyvaskyla, Finland) .
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- 287
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- Phase systems of starch acetate and cellulose acetate in acetone:water
- S. Lepeniotis, B.I. Feuer and J.M. Bronk (Summit, NJ, USA).
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- 293
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- Principal component analysis, contribution plots and feature weights in the
monitoring of sequential process data from a paper machine's wet end
- P. Teppola, S.-P. Muiunen, P. Minkkinen (Lappeenranta, Finland), T. Puijola and
P.Pursiheimo (Raisio, Finland)
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- 307
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- The introduction of process chemometrics into an industrial pilot plant
laboratory
- S.P. Gurden, E.B. Martin and A.J. Morris (Newcastle upon Tyne, UK).
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- 319
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- Modelling and diagnostics of batch processes and analogous kinetic experiments
- S. Wold (Urnea, Sweden), N. Kettaneh (Kinnelon, NJ, USA), H. Friden (Urnea,
Sweden) and A. Hoimberg (Espoo, Finland).
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- 331
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- Monitoring the kinetics of the ion-exchange resin catalysed esterification of
acetic acid with ethanol using near infrared spectroscopy with partial least squares (PLS)
model
- J. Helminen, M. Leppamaki, E. Paatero and P. Minkkinen (Lappeenranta, Finland) .
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- 341
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- Chemometric analysis of a detailed chemical reaction mechanism for methane
oxidation
- A.B. Bendtsen, P. Glarborg and K. Dam-Johansen (Lyngby, Denmark).
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- 353
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- Chemometrics and cultural heritage
- G. Musumarraand M. Fichera (Catania, Italy)
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- 363
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- A multivariate investigation of the effect of the hormone leptin on body weight
reduction
- J. Pettersen (Uppsala, Sweden), J. Svartengren (Stockholm, Sweden) and T.
Lundstedt (Uppsala, Sweden)
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- 373
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- Multivariate analysis of skin impedance data in long-term type 1 diabetic
patients
- B. Lindholm-Sethson, S. Han (Urnea, Sweden), S. Olirnar, 1. Nicander (Huddinge,
Sweden), G. Jonsson, F. Lithner, U. Bertheim and P. Geladi (Urnea, Sweden).
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- 381
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- A multivariate approach to the analysis of pine needle samples using NIR
- R. Hiukka (Vantaa, Finland)
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- 395
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- Bottom water formation in the Weddell Sea resolved by principal component
analysis and target estimation
- R. Lindegren (Goteborg, Sweden) and M. Josefson (GSteborg, Moindal, Sweden).
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- 403
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 áèáëèîòåêó/ To the library