Works matching IS 08869383 AND DT 2018 AND VI 32 AND IP 4

Results: 18

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

Published in:

Journal of Chemometrics, 2018, v. 32, n. 4, p. 1, doi. 10.1002/cem.3028

By:

Brereton, Richard G.;
Lloyd, Gavin R.

Publication type:

Article

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

Published in:

Journal of Chemometrics, 2018, v. 32, n. 4, p. 1, doi. 10.1002/cem.3015

By:

Pusztai, Éva;
Kemény, Sándor;
Vágó, Emese;
Horváth, Anikó

Publication type:

Article

A novel ranking distance measure combining Cayley and Spearman footrule metrics.

Published in:

Journal of Chemometrics, 2018, v. 32, n. 4, p. 1, doi. 10.1002/cem.3011

By:

Sipos, László;
Gere, Attila;
Popp, József;
Kovács, Sándor

Publication type:

Article

Screening for linearly and nonlinearly related variables in predictive cheminformatic models.

Published in:

Journal of Chemometrics, 2018, v. 32, n. 4, p. 1, doi. 10.1002/cem.3009

By:

Hemmateenejad, Bahram;
Baumann, Knut

Publication type:

Article

Application of SAR methods toward inhibition of bacterial peptidoglycan metabolizing enzymes.

Published in:

Journal of Chemometrics, 2018, v. 32, n. 4, p. 1, doi. 10.1002/cem.3007

By:

Tibaut, Tjaša;
Drgan, Viktor;
Novič, Marjana

Publication type:

Article

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

Published in:

Journal of Chemometrics, 2018, v. 32, n. 4, p. 1, doi. 10.1002/cem.3006

By:

Dorgo, Gyula;
Pigler, Peter;
Abonyi, Janos

Publication type:

Article

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.

Published in:

Journal of Chemometrics, 2018, v. 32, n. 4, p. 1, doi. 10.1002/cem.3005

By:

Szabó, Éva;
Gergely, Szilveszter;
Salgó, András

Publication type:

Article

Spectral clustering in eye‐movement researches.

Published in:

Journal of Chemometrics, 2018, v. 32, n. 4, p. 1, doi. 10.1002/cem.3003

By:

Gere, Attila;
Kovács, Sándor;
Sipos, László

Publication type:

Article

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

Published in:

Journal of Chemometrics, 2018, v. 32, n. 4, p. 1, doi. 10.1002/cem.3001

By:

Varmuza, Kurt;
Filzmoser, Peter;
Hoffmann, Irene;
Walach, Jan;
Cottin, Hervé;
Fray, Nicolas;
Briois, Christelle;
Modica, Paola;
Bardyn, Anaïs;
Silén, Johan;
Siljeström, Sandra;
Stenzel, Oliver;
Kissel, Jochen;
Hilchenbach, Martin

Publication type:

Article

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.

Published in:

Journal of Chemometrics, 2018, v. 32, n. 4, p. 1, doi. 10.1002/cem.2998

By:

Németh, Zsolt István;
Rákosa, Rita

Publication type:

Article

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

Published in:

Journal of Chemometrics, 2018, v. 32, n. 4, p. 1, doi. 10.1002/cem.2996

By:

Obradović, Darija;
Andrić, Filip;
Zlatović, Mario;
Agbaba, Danica

Publication type:

Article

Seriation, the method out of a chemist's mind.

Published in:

Journal of Chemometrics, 2018, v. 32, n. 4, p. 1, doi. 10.1002/cem.2995

By:

Tóth, Gergely;
Amari‐Amir, Sasan

Publication type:

Article

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

Published in:

Journal of Chemometrics, 2018, v. 32, n. 4, p. 1, doi. 10.1002/cem.2994

By:

Todeschini, Roberto;
Consonni, Viviana;
Ballabio, Davide;
Grisoni, Francesca

Publication type:

Article

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

Published in:

Journal of Chemometrics, 2018, v. 32, n. 4, p. 1, doi. 10.1002/cem.2993

By:

Kvalheim, Olav Martin;
Arneberg, Reidar;
Grung, Bjørn;
Rajalahti, Tarja

Publication type:

Article

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

Published in:

Journal of Chemometrics, 2018, v. 32, n. 4, p. 1, doi. 10.1002/cem.2992

By:

Roy, Kunal;
Ambure, Pravin;
Kar, Supratik;
Ojha, Probir Kumar

Publication type:

Article

Chromatographic and in silico assessment of log<italic>P</italic> measures for new spirohydantoin derivatives with anticancer activity.

Published in:

Journal of Chemometrics, 2018, v. 32, n. 4, p. 1, doi. 10.1002/cem.2991

By:

Djaković Sekulić, Tatjana;
Smoliński, Adam;
Mandić, Anamarija;
Lazić, Anita

Publication type:

Article

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

Published in:

Journal of Chemometrics, 2018, v. 32, n. 4, p. 1, doi. 10.1002/cem.2986

By:

Xu, Jun‐Li;
Sun, Da‐Wen;
Gowen, Aoife A.

Publication type:

Article

Issue Information.

Published in:: Journal of Chemometrics, 2018, v. 32, n. 4, p. 1, doi. 10.1002/cem.2945
Publication type:: Article