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1
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Data
Mining of the Relationship between Volatile Organic Components and Transient
High Ozone Formation, Feng Gan and Philip K. Hopke |
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2
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Simultaneous
Quantitation of HIV DNA Vaccine Constituents by Second-Derivative UV Absorbance
with Multi-Component Analysis, Joyce A. Sweeney, Bettiann Waldner and
Pei-Kuo Tsai |
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3
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OptiSim:
A Fast Alternative to Kennard and Stone Algorithm, M. Daszykowski,
B. Walczak, D. L. Massart |
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4
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Discovering
Data Topology with Growing Neural Gas, M. Daszykowski, B. Walczak,
D. L. Massart |
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5
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Determination
of Sulphate in Extracted Phosphoric Acid using Flow Injection Enthalpimetric
Analysis, Q.Y.Zhang,M.Q.Wu |
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6
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A
Multivariate Approach to Static ToF-SIMS Image Analysis of Micropatterned
Surfaces, Bronwyn Wickes and David G. Castner |
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7
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Applied
Influence Function Analysis for Partial Least Squares, Kjell Johnson
and William Rayens |
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8
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Genetic
Algorithms for Pattern Recognition and Multivariate Calibration. I. A Solution
to the Class Membership Problem, Barry K. Lavine,Charles. E. Davidson |
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9
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Genetic
Algorithms for Pattern Recogntion and Multivariate Calibration: II. Transverse
Learning, Barry K. Lavine, Charles E. Davidson |
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10
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Optimisation
of Preparation of Plant Samples for Metabolic Profiling on GC-MS, J.
Gullberg, A. Nordstrom, P. Jonsson, M. Sjostrom, M. Kowalczyk, G. Sandberg
and T. Moritz |
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11
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A
Clustering Algorithm for Multispectral Satellite Images, T.N. Tran,
R. Wehrem and L. M. C. Buydens |
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12
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A
Real-time Approach to Factor Resolution and Data Refinement using WEFA,
K.S. Booksh and T. Bohinc |
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13
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Elucidation
of the Structure of a Protein Folding Intermediate (Molten Globule State)
using Multivariate Curve Resolution Alternating Least Squares (MCR-ALS),
Susana Navea, Anna de Juan and Roma Tauler |
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14
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Monitoring
Batch Processes using OPA and ALS, S.Gourvenec, D.L.Maasart |
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15
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Assessment
of DOSY Data Processing Methods, R.Huo, R.Wehrens, J.van Duynhoven,
L.M.C Buydens |
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16
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Quantification
of Two-Ring Aromatics in Jet Fuel with GCxGC/Tri-PLS and Objective Retention
Time Alignment, Kevin J. Johnson, Bryan J. Prazen, Donald C. Young
and Robert E. Synovec |
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17
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High-Speed
Gas Chromatographic Separations with Diaphragm Valve-Based Injection and
Chemometric Analysis as a Gas Chromatographic "Sensor", Kevin J. Johnson,
Marianne A. Cavelti, Janiece L. Flick, Jay W. Grate and Robert E. Synovec |
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18
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Parallel
Column Liquid Chromatography with a Single Multi-Wavelength Absorbance
Detector for Enhanced Selectivity using Chemometric Analysis, Gwen
M. Gross, Bryan J. Prazen, and Robert E. Synovec |
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19
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Study
of the Influence of Selectivity and Sensitivity Parameters on Detection
Limits in Multivariate Curve Resolution of Chromatographic Second-order
Data, Mª José Rodríguez, Ricard Boqué and
F. Xavier Rius |
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20
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A
Genetic Algorithm - Tabu Search Hybrid Approach for Synthesizing Multilayer
Optical Coatings, J.A. Hageman, R. Wehrens, H.A. van Sprang and L.M.C.
Buydens |
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21
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Hard
and Soft Modelling of Acid-base Chemical Equilibria of Biomolecules using
1H-NMR, Joaquim Jaumot, Montserrat Vives, Raimundo Gargallo and Roma
Tauler |
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22
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Multivariate
Curve Resolution Alternating Least Squares Analysis of the Conformational
Equilibria of the Oligonucleotide d(TGCTCGCT), Joaquim Jaumot, Núria
Escaja, Raimundo Gargallo, Enrique Pedroso and Roma Tauler |
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23
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Validation
of Screening Test Kits for the Determination of Aflatoxins in Nuts,
E. Trullols, I. Ruisánchez and F.X. Rius |
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24
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Multivariate
Statistical Process Control for Continuous Monitoring of an Early Warning
Fire Detection System, Renee D. JiJi, Mark H. Hammond, and Susan L.
Rose-Pehrsson |
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25
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Probabilistic
Neural Network for Early Fire Detection Using a Multi-Criteria Sensor Arrays,
Susan L. Rose-Pehrsson, Mark H. Hammond, Daniel T. Gottuk, Jennifer T.
Wong, and Mark T. Wright |
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26
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Identification
and Distribution of Microcontaminants Sources of Nonionic Surfactants,
Their Degradation Products and Linear Alkybenzen Sulfonates in Coastal
Waters and Sediments in Spain by Means of Chemometric Methods, Emma
Peré-Trepat, Mira Petrovic, Dami Barceló and Roma Tauler |
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27
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Models
For Measurement Error Covariance In Multichannel Instrumentation, Marc
N. Leger and Peter D. Wentzell |
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28
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Multiway
Calibration for Creatinine Determination by the JAFFE Method in Human Serum,
M.V. Guterres, M.M.C. Ferreira and P.L.O. Volpe |
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29
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Resolution
of On-flow LC/NMR of Complex Mixtures by Multivariate Means, Hailin
Shen, Richard G Brereton, Christian Y Airiau and Hassan Sukri |
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30
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Improvement
of Sliding-Window Gene-Shaving Clustering for Gene Expression Data,
Young-Hyun Ko, Hyeseon Lee and Chi-Hyuck Jun |
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31
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Handling
Large Data-sets in the Food Industry, Vibeke T. Povlsen and Frans W.J.
van den Berg |
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32
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Toxicity
Classification from Metabonomic Data using a Density Superposition Approach:
‘CLOUDS’, Tim Ebbels, Hector Keun, Mary Bollard, Henrik Antti, Olaf
Beckonert, Elaine Holmes, John Lindon and Jeremy Nicholson |
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33
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Using
Temporal Imaging and Chemometrics to Study Gas-liquid Transfer, Stephen
P. Gurden and Marcia M.C. Ferreira |
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34
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Determination
of Doxorubicin in Human Plasma by Excitation-emission Matrix Fluorescence
and Multi-way Analysis, Marcello Trevisan and Ronei J. Poppi |
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35
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Relating
Physiological Measurements to Temporal Change of Sensory Attributes in
Semi-solid Food Products, R.H. Jellema, R.A. de Wijk, L.J. van Gemert,
G.B. Dijksterhuis, J.F. Prinz and H. Weenen |
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36
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Process
Monitoring and Control in GSK, Phil Borman, Richard Escott, Jason Murtagh,
John O'Shea and Sarah Stimpson |
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37
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The
Use of On-Line Near Infra Red (NIR) and PLS Models for Monitoring Continuous
Reactions, Duncan Thompson and Richard Escott |
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38
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Building
NMR Spectroscopic Metabonomic Databases: HCA and KNN Classification for
the Exploration and Prediction of Drug Toxicity, Olaf Beckonert, Mary
Bollard, Tim Ebbels, Hector Keun, Henrik Antti, Elaine Holmes, John Lindon
and Jeremy Nicholson |
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39
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Multivariate
Data Analysis of Chemical Structure Sets Represented by Binary Substructure
Descriptors, K. Varmuza, H. Scsibrany, M. Karlovits, W. Demuth, and
F. Moller |
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40
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Example
of a Three-step Strategy PCA-PLS-LDA with Archaeometric Data: Identification
of an Organic Material on a Neolithic Statuette, K. Varmuza, F. Sauter,
W. Werther and P. Stadler |
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41
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A
Regression-based Prediction Combining Clustering and Variable Selection
Methods, Il-Gyo Chong and Chi-Hyuck Jun |
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42
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A
Multivariate Screening Approach using Statistical Experimental Design and
PLS for Metabonomic NMR and Clinical Chemical Toxicity Data, Henrik
Antti , Tim Ebbels, Hector Keun, Mary Bollard, Olaf Beckonert, Elaine Holmes,
John Lindon and Jeremy Nicholson |
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43
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Improved
Analysis of Multivariate Data by Variable Stability (VAST) Scaling: Application
to NMR Spectroscopic Metabolic Profiling, Hector Keun, Henrik Antti,
Tim Ebbels, Mary Bollard, Olaf Beckonert, Elaine Holmes, John Lindon and
Jeremy Nicholson |
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44
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Geometry-based
Pattern Recognition of Dynamic Metabolic Profiles: Classifying Toxicity
from NMR Spectra of Biofluids, Hector Keun, Tim Ebbels, Henrik Antti
, Mary Bollard, Olaf Beckonert, Elaine Holmes, John Lindon and Jeremy Nicholson |
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45
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Automatic
Preprocessing of LC-MS Data, Fredrik O. Andersson and Sven P. Jacobsson |
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46
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Multiway
Data Analysis of Environmental Contamination Sources in Surface Natural
Waters of Catalonia (Spain), Emma PerŽ-Trepat, M—nica Flo, Montserrat
Mu–oz, Elisabeth Teixid—, Mere Figueras, Lourdes Olivella, Manel Vilanova,
Josep Caixach, Antoni Ginebreda and Romˆ Tauler |
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47
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Combined
In-vivo Transcriptomics and Metabonomics in Characterization of Biomarkers
for Mechanistic Studies of Lipid-lowering Drugs, Dorrit Baunsgaard,
Klaus S. Frederiksen, Jan Fleckner, Erik Max Wulff, Karsten Wassermann,
Per Sauerberg and Ulla G. Sidelmann |
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48
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Application
of Multivariate Curve Resolution for Analysis of FT-IR Microspectroscopic
Images of In-situ Plant Tissue, Boiana Budevska |
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49
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Development
Applications of Guided Microwave Spectroscopy using Chemometrics, Victoria
C. Loades and Anthony D. Walmsley |
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50
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Non-invasive
Diagnosis of Osteoarthritis using MVA on NMR Spectra, Renger H. Jellema,
Robert-Jan A.N. Lamers, Elly J. Faber, Jeroen de Groot, Gerwin K. Spijksma,
Nicole Verzijl and Joop H.J. van Nesselrooij |
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51
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Multiresolution
Analysis for Quantification of Optical Properties in Scattering Media using
Photon Time-of-flight Measurements, C.E.W. Gributs and D.H. Burns |
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52
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Fuzzifying
Classification Trees for Improved Prediction, Anthony Myles and Steven
D. Brown |
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53
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Bayesian
graphical models for uncertainty assessment for laboratory accreditation
under ISO 17025, Bradley Venner and Larry Stratton |
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54
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Automatic
Declutter Approaches using GLS with Discrete or Continuous Independent
Variables, Jeremy Shaver and Steven Wright |
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55
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Resolution
of Humic Materials and Chlorophylls using Light Emitting Diode Excitation
Emission Matrix (LED-EEM) Fluorescence Spectroscopy and Parallel Factor
Analysis (PARAFAC), Renee D. JiJi and Sean J. Hart |
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56
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Retention
Indices of PAHs Studied by Multiway and Multivariate Methods,
R. Kiralj and M.M.C. Ferreira |
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57
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Fusing
Data from Diverse Sources to Characterize Batch Reactions, Paul J.
Gemperline, Shane Moore, Enric Comas, R. Russell Rhinehart, Karen High
and Samir Alam |
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58
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Chemometric
Study on Atmospheric Pollution Sources, Edilton de S. Barcellos, Marlon
M. dos Reis and Marcia M. C. Ferreira |
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59
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Classification
with Boosted Multilayer Perceptrons, M. Pardo, G. Sberveglieri, G.
Valentini and F. Masulli |
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60
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A
Response Surface Study to Attain Accuracy in Measuring Atmospheric Black
Carbon by Thermal-Optical Analysis, Joseph M. Conny and Donna B. Klinedinst |
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61
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Monotonicity
on Identification with Neural Nets, Guillermo B. Sentoni and Lorenz
T. Biegler |
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62
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Background
Suppression Strategies for the Detection of Volatile Organic Compounds
by Airborne Passive Fourier Transform Infrared Spectrometry, Toshiyasu
Tarumi and Gary W. Small |
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63
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Algorithms
For Rapid Detection of Volatile Organic Compounds by Passive Fourier Transform
Infrared Measurements from an Aircraft Platform, Boyong Wan and Gary
W. Small |
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64
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Data
Processing Strategies for the Determination of Glucose from Low Resolution
Fourier Transform Near Infrared Spectra, Kirsten Kramer and Gary W.
Small |
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65
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Imaging
Spectroscopy: A Challenge for Multivariate Curve Resolution Methods,
L. Duponchel, W. Elmi-Rayaleh, C. Ruckebusch, J-P. Huvenne and P. Legrand |
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66
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Uninformative
Variable Selection using Two-Dimensional Correlation Analysis, He Xiao
and David H. Burns |
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67
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Methods
for Luminescence Lifetime Determination, Christina M. McGraw, Gamal
Khalil, and James B. Callis |
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68
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Rare
Earth Glass Reference Materials for Near Infrared Spectrometry, David
L. Duewer and Steven J. Choquette |
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69
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Comparison
of Statistical Confidence-Limit Estimates for Sum-Squared Residuals,
Jeremy M. Shaver, Barry M. Wise and Neal B. Gallagher |
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70
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Chemometrics:
Regulatory Challenges and Opportunities in Pharmaceutical Manufacture,
J. A. Spencer, L. F. Buhse, M. M. Nasr and A. S. Hussain |
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71
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On-line
Determination of Polymer (HDPE) Properties by Low-density Nuclear Magnetic
Resonance, Alan D. Eastman and Ping-Chia Liao |
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72
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Resolution
of HPLC Peaks for Chinese Medicines Using Wavelet Analysis and Evolving
Factor Analysis, Lu Xu and Yu-Hua Qi |
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73
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Automated
Assays of Radionuclides in Chemical Waste by Passive Gamma-ray Spectroscopy
and Chemometrics, M. Elena Velasquez, Peter Harrington, and Ken Bosworth |
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74
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Missing
Data Estimation Based on a Combined Wavelet-PCA Technique, Vitor V.
Lopes and Jose C. Menezes |
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75
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Unmixing
Complex Chromatograms, Scott Ramos, Marlana Blackburn, and Brian Rohrback |
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76
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Transfer
of Calibration for Classification Problems, Marlana Blackburn, Scott
Ramos, and Brian Rohrback |
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77
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Automated
Interpretation of Multivariate Instrument Data Using ActiveX, Brian
Rohrback, Marlana Blackburn, and Scott Ramos |
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78
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Discarding
or Downweighting High-noise Variables in Factor Analytic Models, Philip
K. Hopke and Pentti Paatero |
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79
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Modeling
the Adsorption of Carboxilic Acid Vapors on a Quartz Crystal Microbalance
Coated with Polyethylenimine, M.E. Dominguez, R.L. Curiale, S.M.Steinberg,
E.J. Poziomek and A. Quere |
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80
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Identification
of Pure-component Spectra from Mid-IR Spectral Data of Multi-component
Mixture using Independent Component Analysis, Sangjoon Hahn, Haemin
Cho and Gilwon Yoon |
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81
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Novel
Combination of Hard- and Soft-modeling for Equilibrium Systems and its
Application to the Quantitative Analysis of pH Modulated Mixture Samples,
Josef Diewok, Anna de Juan, Marcel Maeder, Roma Tauler and Bernhard Lendl |
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82
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Theoretical
and Chemometric Interpretation of Optical Low Coherence Reflectometry Experimental
Studies of Polystyrene Nanospheres, Summer Lockerbie Randall, Anatol
M. Brodsky and Lloyd W. Burgess |
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83
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Mutual
Peak Resolution and Matching in Series of HPLC/DAD Mixture Analyses,
Andrey Bogomolov, Michael McBrien |
|
84
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Using
MATLAB to Graphically Visualize a Batch Process With Multi-Way PCA,
Jennifer Fouche, James Owen, Rajiv Singh |
|
85
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Analysis
and Monitoring of Batch Processes Using Projection Methods: An Evaluation
of Alternative Approaches, Yaqui Chen, Theodora Kourti, John MacGregor |
