Hide Menu
Hide Menu   Home   |     About Us   |   Contact   |   Imprint   |   Privacy   |   Sitemap
Hide Menu   Chemistry Index   |   Chemicals   |   Elemente
Hide Menu   Lab Instruments   |  
Hide Menu   Job Vacancies   |  
Hide Menu   Chemistry Forum   |  
Chemistry A - Z
Equipment for Lab and Industry
Chemicals and Compounds
Job Vacancies
Imprint, Contact

 

Journal of Chemometrics

Current research reports and chronological list of recent articles..




The international scientific Journal of Chemometrics is devoted to the rapid publication of original scientific papers, reviews and short communications on fundamental and applied aspects of chemometrics.

The publisher is Wiley. The copyright and publishing rights of specialized products listed below are in this publishing house. This is also responsible for the content shown.

To search this web page for specific words type "Ctrl" + "F" on your keyboard (Command + "F" on a Mac). Then: type the word you are searching for in the window that pops up!

Additional research articles see Current Chemistry Research Articles. See also: information resources on chemometrics.



Journal of Chemometrics - Abstracts



Model and estimators for partial least squares regression

Journal of Chemometrics, EarlyView. <br/>
Datum: 10.05.2018


Genome‐wide feature analysis of the sequence‐specific recognition in intermolecular interaction between TGF‐β pathway DNA and MEG3 lncRNA in human cancer

Journal of Chemometrics, EarlyView. <br/>
Datum: 10.05.2018


Multivariate patent analysis—Using chemometrics to analyze collections of chemical and pharmaceutical patents

Journal of Chemometrics, EarlyView. <br/>
Datum: 10.05.2018


Crossed mixture‐process design for optimization of simultaneous adsorption of Tartrazine and Indigo carmine dyes by cobalt hydroxide nanosorbent

Journal of Chemometrics, EarlyView. <br/>
Datum: 10.05.2018


Neural network for prediction of 13C NMR chemical shifts of fullerene C60 mono‐adducts

Journal of Chemometrics, EarlyView. <br/>
Datum: 10.05.2018


Automated chemical imaging identification of illegal drugs in correctional facilities mail

Journal of Chemometrics, EarlyView. <br/>
Datum: 04.05.2018


Higher‐order correlation–based multivariate statistical process monitoring

Journal of Chemometrics, EarlyView. <br/>
Datum: 30.04.2018


Elemental fingerprint profiling with multivariate data analysis to classify organic chocolate samples

Journal of Chemometrics, EarlyView. <br/>
Datum: 25.04.2018


Fault detection based on difference locality preserving projections for the semiconductor process

Journal of Chemometrics, EarlyView. <br/>
Datum: 25.04.2018


Using elastic net regression to perform spectrally relevant variable selection

Journal of Chemometrics, EarlyView. <br/>
Datum: 25.04.2018


Issue Information

Journal of Chemometrics, Volume 32, Issue 4, April 2018. <br/>
Datum: 23.04.2018


Multiclass partial least squares discriminant analysis: Taking the right way—A critical tutorial

Journal of Chemometrics, EarlyView. <br/>
Datum: 11.04.2018


Partial least squares discriminant analysis for chemometrics and metabolomics: How scores, loadings, and weights differ according to two common algorithms

Journal of Chemometrics, Volume 32, Issue 4, April 2018. <br/>
Datum: 26.03.2018


Strictly conservative expected values in the case of heteroscedastic errors and their application to evidential breath alcohol confidence intervals for concentration measurements

Journal of Chemometrics, EarlyView. <br/>
Datum: 23.03.2018


ANOVA tables and statistical significance of models

Journal of Chemometrics, EarlyView. <br/>
Datum: 14.03.2018


Sources of error

Journal of Chemometrics, EarlyView. <br/>
Datum: 14.03.2018


Introduction to analysis of variance

Journal of Chemometrics, EarlyView. <br/>
Datum: 14.03.2018


Establishing the optimal blocks' order in SO‐PLS: Stepwise SO‐PLS and alternative formulations

Journal of Chemometrics, EarlyView. <br/>
Datum: 13.03.2018


Degrees‐of‐freedom, errors, and replicates

Journal of Chemometrics, EarlyView. <br/>
Datum: 13.03.2018


Process‐centric and data‐centric strategies for enhanced production of l‐asparaginase—an anticancer enzyme, using marine‐derived Aspergillus niger

Journal of Chemometrics, EarlyView. <br/>
Datum: 12.03.2018


Simulation of kinetic behavior of natural surfactants adsorption using a new robust approach

Journal of Chemometrics, EarlyView. <br/>
Datum: 09.03.2018


Simultaneous construction of dual Borgen plots. II: Algorithmic enhancement for applications to noisy spectral data

Journal of Chemometrics, EarlyView. <br/>
Datum: 08.03.2018


High‐throughput statistical screening of antiinfective peptides from natural antibacterial protein repertoire: Chemometric prediction, molecular modeling, and susceptibility analysis

Journal of Chemometrics, EarlyView. <br/>
Datum: 07.03.2018


Can we beat overfitting?—A closer look at Cloarec's PLS algorithm

Journal of Chemometrics, EarlyView. <br/>
Datum: 07.03.2018


Topics in chemometrics, TIC 2017, a personal report

Journal of Chemometrics, EarlyView. <br/>
Datum: 28.02.2018


kNN based on probability density for fault detection in multimodal processes

Journal of Chemometrics, EarlyView. <br/>
Datum: 28.02.2018


Feasibility of peak volume algorithm in electrothermal vaporization microwave plasma atomic emission spectrometry

Journal of Chemometrics, EarlyView. <br/>
Datum: 27.02.2018


Material data mining in Nianyi Chen's scientific family

Journal of Chemometrics, EarlyView. <br/>
Datum: 27.02.2018


Removal of brilliant green and malachite green from aqueous solution by a viable magnetic polymeric nanocomposite: Simultaneous spectrophotometric determination of 2 dyes by PLS using original and first derivative spectra

Journal of Chemometrics, EarlyView. <br/>
Datum: 20.02.2018


Projection to latent structures with orthogonal constraints for metabolomics data

Journal of Chemometrics, EarlyView. <br/>
Datum: 20.02.2018


Correlation and redundancy on machine learning performance for chemical databases

Journal of Chemometrics, EarlyView. <br/>
Datum: 19.02.2018


Understanding the importance of process alarms based on the analysis of deep recurrent neural networks trained for fault isolation

Journal of Chemometrics, Volume 32, Issue 4, April 2018. <br/>
Datum: 19.02.2018


Uniform experimental design in chemometrics

Journal of Chemometrics, EarlyView. <br/>
Datum: 14.02.2018


Systematic comparison and potential combination between multivariate curve resolution–alternating least squares (MCR‐ALS) and band‐target entropy minimization (BTEM)

Journal of Chemometrics, EarlyView. <br/>
Datum: 13.02.2018


Data augmentation in food science: Synthesising spectroscopic data of vegetable oils for performance enhancement

Journal of Chemometrics, EarlyView. <br/>
Datum: 09.02.2018


Trajectory‐based phase partition and multiphase multilinear models for monitoring and quality prediction of multiphase batch processes

Journal of Chemometrics, EarlyView. <br/>
Datum: 08.02.2018


Decision risk approach to the application of biological indicators in vapor phased hydrogen peroxide bio‐decontamination

Journal of Chemometrics, Volume 32, Issue 4, April 2018. <br/>
Datum: 08.02.2018


Detectability of concentration‐dependent factors by application of PCA. An indicator curve for the determination of important principal components and a post‐correction for transformation of principal components to factors

Journal of Chemometrics, Volume 32, Issue 4, April 2018. <br/>
Datum: 08.02.2018


Screening for linearly and nonlinearly related variables in predictive cheminformatic models

Journal of Chemometrics, Volume 32, Issue 4, April 2018. <br/>
Datum: 07.02.2018


Seriation, the method out of a chemist's mind

Journal of Chemometrics, Volume 32, Issue 4, April 2018. <br/>
Datum: 06.02.2018


A novel ranking distance measure combining Cayley and Spearman footrule metrics

Journal of Chemometrics, Volume 32, Issue 4, April 2018. <br/>
Datum: 01.02.2018


Spectral clustering in eye‐movement researches

Journal of Chemometrics, Volume 32, Issue 4, April 2018. <br/>
Datum: 01.02.2018


Ensemble learning model based on selected diverse principal component analysis models for process monitoring

Journal of Chemometrics, EarlyView. <br/>
Datum: 01.02.2018


Linear discriminant analysis, partial least squares discriminant analysis, and soft independent modeling of class analogy of experimental and simulated near‐infrared spectra of a cultivation medium for mammalian cells

Journal of Chemometrics, Volume 32, Issue 4, April 2018. <br/>
Datum: 01.02.2018


Application of SAR methods toward inhibition of bacterial peptidoglycan metabolizing enzymes

Journal of Chemometrics, Volume 32, Issue 4, April 2018. <br/>
Datum: 31.01.2018


Is it possible to improve the quality of predictions from an “intelligent” use of multiple QSAR/QSPR/QSTR models?

Journal of Chemometrics, Volume 32, Issue 4, April 2018. <br/>
Datum: 30.01.2018


A frequency‐localized recursive partial least squares ensemble for soft sensing

Journal of Chemometrics, EarlyView. <br/>
Datum: 25.01.2018


Significance of variables for discrimination: Applied to the search of organic ions in mass spectra measured on cometary particles

Journal of Chemometrics, Volume 32, Issue 4, April 2018. <br/>
Datum: 25.01.2018


Nonparametric algorithm for identification of outliers in environmental data

Journal of Chemometrics, EarlyView. <br/>
Datum: 25.01.2018


Variable selection and chemometric models for discriminating symptomatic gout based on a metabolic target analysis

Journal of Chemometrics, EarlyView. <br/>
Datum: 25.01.2018


Chemoinformatic design of amphiphilic molecules for methane hydrate inhibition

Journal of Chemometrics, EarlyView. <br/>
Datum: 25.01.2018


Determination of optimum number of components in partial least squares regression from distributions of the root‐mean‐squared error obtained by Monte Carlo resampling

Journal of Chemometrics, Volume 32, Issue 4, April 2018. <br/>
Datum: 25.01.2018


Mapping of Activity through Dichotomic Scores (MADS): A new chemoinformatic approach to detect activity‐rich structural regions

Journal of Chemometrics, Volume 32, Issue 4, April 2018. <br/>
Datum: 18.01.2018


Fault detection and diagnosis strategy based on a weighted and combined index in the residual subspace associated with PCA

Journal of Chemometrics, EarlyView. <br/>
Datum: 12.01.2018


Chemometrics in laser‐induced breakdown spectroscopy

Journal of Chemometrics, EarlyView. <br/>
Datum: 12.01.2018


Confidence ellipsoids for ASCA models based on multivariate regression theory

Journal of Chemometrics, EarlyView. <br/>
Datum: 12.01.2018


Modeling of Hansen's solubility parameters of aripiprazole, ziprasidone, and their impurities: A nonparametric comparison of models for prediction of drug absorption sites

Journal of Chemometrics, Volume 32, Issue 4, April 2018. <br/>
Datum: 12.01.2018


Molecular modeling and chemometric analysis of osteoporosis calmodulin‐TRPV1 binding affinity by statistically characterizing complex interactions

Journal of Chemometrics, EarlyView. <br/>
Datum: 28.12.2017


Chemometric methods applied in the image plane to correct striping noise in hyperspectral chemical images of biomaterials

Journal of Chemometrics, Volume 32, Issue 4, April 2018. <br/>
Datum: 28.12.2017


Chromatographic and in silico assessment of logP measures for new spirohydantoin derivatives with anticancer activity

Journal of Chemometrics, Volume 32, Issue 4, April 2018. <br/>
Datum: 28.12.2017


Application of near‐infrared spectroscopy combined with chemometrics for online monitoring of Moluodan extraction

Journal of Chemometrics, EarlyView. <br/>
Datum: 01.12.2017


An improved plant‐wide fault detection scheme based on PCA and adaptive threshold for reliable process monitoring: Application on the new revised model of Tennessee Eastman process

Journal of Chemometrics, EarlyView. <br/>
Datum: 01.12.2017


Combination of heuristic optimal partner bands for variable selection in near‐infrared spectral analysis

Journal of Chemometrics, EarlyView. <br/>
Datum: 29.11.2017


Current challenges in second‐order calibration of hyphenated chromatographic data for analysis of highly complex samples

Journal of Chemometrics, EarlyView. <br/>
Datum: 29.11.2017


Machine learning‐based genetic evolution of antitumor proteins containing unnatural amino acids by integrating chemometric modeling and cytotoxicity analysis

Journal of Chemometrics, EarlyView. <br/>
Datum: 27.11.2017


One‐dimensional convolutional neural networks for spectroscopic signal regression

Journal of Chemometrics, EarlyView. <br/>
Datum: 27.11.2017


Closure constraint in multivariate curve resolution

Journal of Chemometrics, EarlyView. <br/>
Datum: 23.11.2017


Application of image moments in MIA‐QSAR

Journal of Chemometrics, EarlyView. <br/>
Datum: 10.11.2017


Ensemble calibration for the spectral quantitative analysis of complex samples

Journal of Chemometrics, EarlyView. <br/>
Datum: 17.10.2017


To correlate and predict the potential and new functions of traditional Chinese medicine formulas based on similarity indices

Journal of Chemometrics, EarlyView. <br/>
Datum: 28.09.2017


Post‐modified non‐negative matrix factorization for deconvoluting the gene expression profiles of specific cell types from heterogeneous clinical samples based on RNA‐sequencing data

Journal of Chemometrics, EarlyView. <br/>
Datum: 31.08.2017


Sampling error profile analysis (SEPA) for model optimization and model evaluation in multivariate calibration

Journal of Chemometrics, EarlyView. <br/>
Datum: 23.08.2017


Calculation of topological indices from molecular structures and applications

Journal of Chemometrics, EarlyView. <br/>
Datum: 23.08.2017


Robust variable selection based on bagging classification tree for support vector machine in metabonomic data analysis

Journal of Chemometrics, EarlyView. <br/>
Datum: 18.07.2017


Quantitative analysis based on spectral shape deformation: A review of the theory and its applications

Journal of Chemometrics, EarlyView. <br/>
Datum: 14.06.2017


The O‐PLS methodology for orthogonal signal correction—is it correcting or confusing?

Journal of Chemometrics, EarlyView. <br/>
Datum: 11.04.2017


 


Category: Current Chemistry Research

Last update: 28.03.2018.






© 1996 - 2018 Internetchemistry














I agree!

This site uses cookies. By using this website, you agree to the use of cookies! Learn more ...