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There are 12736 results for: content related to: Is your QSAR/QSPR descriptor real or trash?

  1. Model choice and squared prediction errors in PLS regression

    Journal of Chemometrics

    Volume 25, Issue 6, June 2011, Pages: 301–312, Rolf Ergon, Maths Halstensen and Kim H. Esbensen

    Article first published online : 16 APR 2011, DOI: 10.1002/cem.1356

  2. Window consensus PCA for multiblock statistical process control: adaption to small and time-dependent normal operating condition regions, illustrated by online high performance liquid chromatography of a three-stage continuous process

    Journal of Chemometrics

    Volume 24, Issue 9, September 2010, Pages: 596–609, Diana L. S. Ferreira, Sila Kittiwachana, Louise A. Fido, Duncan R. Thompson, Richard E. A. Escott and Richard G. Brereton

    Article first published online : 21 JUL 2010, DOI: 10.1002/cem.1322

  3. Using GEMANOVA to explore the pattern generating properties of the Delta-Notch model

    Journal of Chemometrics

    Volume 24, Issue 10, October 2010, Pages: 626–634, Julia Isaeva, Solve Sæbø, John Andreas Wyller, Kristian Hovde Liland, Ellen Mosleth Faergestad, Rasmus Bro and Harald Martens

    Article first published online : 12 OCT 2010, DOI: 10.1002/cem.1348

  4. OnPLS—a novel multiblock method for the modelling of predictive and orthogonal variation

    Journal of Chemometrics

    Volume 25, Issue 8, August 2011, Pages: 441–455, Tommy Löfstedt and Johan Trygg

    Article first published online : 25 APR 2011, DOI: 10.1002/cem.1388

  5. Quantitative structure–activity relationship study on the inhibitors of fatty acid amide hydrolase

    Journal of Chemometrics

    Volume 24, Issue 9, September 2010, Pages: 565–573, Peng Lu, Ruisheng Zhang, Yongna Yuan and Zhiguo Gong

    Article first published online : 9 APR 2010, DOI: 10.1002/cem.1314

  6. A scalable optimization approach for fitting canonical tensor decompositions

    Journal of Chemometrics

    Volume 25, Issue 2, February 2011, Pages: 67–86, Evrim Acar, Daniel M. Dunlavy and Tamara G. Kolda

    Article first published online : 27 JAN 2011, DOI: 10.1002/cem.1335

  7. An efficient nonlinear programming strategy for PCA models with incomplete data sets

    Journal of Chemometrics

    Volume 24, Issue 6, June 2010, Pages: 301–311, Rodrigo López-Negrete de la Fuente, Salvador García-Muñoz and Lorenz T. Biegler

    Article first published online : 21 MAY 2010, DOI: 10.1002/cem.1306

  8. Multiple response optimization: a global criterion-based method

    Journal of Chemometrics

    Volume 24, Issue 6, June 2010, Pages: 333–342, Nuno Ricardo Costa and Zulema Lopes Pereira

    Article first published online : 20 APR 2010, DOI: 10.1002/cem.1312

  9. Multiblock redundancy analysis: interpretation tools and application in epidemiology

    Journal of Chemometrics

    Volume 25, Issue 9, September 2011, Pages: 467–475, Stéphanie Bougeard, El Mostafa Qannari and Nicolas Rose

    Article first published online : 29 APR 2011, DOI: 10.1002/cem.1392

  10. Shedding new light on Hierarchical Principal Component Analysis

    Journal of Chemometrics

    Volume 24, Issue 11-12, November - December 2010, Pages: 703–709, Mohamed Hanafi, Achim Kohler and El Mostafa Qannari

    Article first published online : 31 AUG 2010, DOI: 10.1002/cem.1334

  11. On multivariate calibration with unlabeled data

    Journal of Chemometrics

    Volume 25, Issue 8, August 2011, Pages: 456–465, Paman Gujral, Michael Amrhein, Rolf Ergon, Barry M. Wise and Dominique Bonvin

    Article first published online : 8 JUL 2011, DOI: 10.1002/cem.1389

  12. Cross fitted partial least squares (CF-PLS): an alternative algorithm for a more reliable PLS

    Journal of Chemometrics

    Volume 25, Issue 4, April 2011, Pages: 208–215, Olivier Cloarec

    Article first published online : 10 FEB 2011, DOI: 10.1002/cem.1380

  13. Gaussian mixture models for the classification of high-dimensional vibrational spectroscopy data

    Journal of Chemometrics

    Volume 24, Issue 11-12, November - December 2010, Pages: 719–727, Julien Jacques, Charles Bouveyron, Stéphane Girard, Olivier Devos, Ludovic Duponchel and Cyril Ruckebusch

    Article first published online : 9 DEC 2010, DOI: 10.1002/cem.1355

  14. Statistical evaluation of non-profile analyses for the in vitro bioequivalence

    Journal of Chemometrics

    Volume 24, Issue 10, October 2010, Pages: 617–625, Shih-Ting Chiu, Pei-Ying Tsai and Jen-pei Liu

    Article first published online : 24 SEP 2010, DOI: 10.1002/cem.1337

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    Non-parametric permutation test for the discrimination of float glass samples based on LIBS spectra

    Journal of Chemometrics

    Volume 24, Issue 6, June 2010, Pages: 312–319, Erin McIntee, Emilie Viglino, Stephanie Kumor, Caitlin Rinke, Liqiang Ni and Michael E. Sigman

    Article first published online : 24 MAY 2010, DOI: 10.1002/cem.1308

  16. Assessing the coefficient of variations of chemical data using bootstrap method

    Journal of Chemometrics

    Volume 25, Issue 6, June 2011, Pages: 295–300, Saeid Amiri and Silvelyn Zwanzig

    Article first published online : 17 MAR 2011, DOI: 10.1002/cem.1350

  17. A new third-order calibration method with application for analysis of four-way data arrays

    Journal of Chemometrics

    Volume 25, Issue 8, August 2011, Pages: 408–429, Hai-Yan Fu, Hai-Long Wu, Yong-Jie Yu, Li-Li Yu, Shu-Rong Zhang, Jin-Fang Nie, Shu-Fang Li and Ru-Qin Yu

    Article first published online : 11 FEB 2011, DOI: 10.1002/cem.1386

  18. Partial least squares discrimination with heterogeneous covariance structures

    Journal of Chemometrics

    Volume 25, Issue 3, March 2011, Pages: 109–115, Yushu Liu, William Rayens, Anders Andersen and Charles Smith

    Article first published online : 2 FEB 2011, DOI: 10.1002/cem.1352

  19. 3D superposition of chemical fragments for N-membered rings: application to conformational analysis

    Journal of Chemometrics

    Volume 25, Issue 1, January 2011, Pages: 1–9, Mathieu Kessler and José Pérez

    Article first published online : 22 OCT 2010, DOI: 10.1002/cem.1338

  20. The log-bimodal-skew-normal model. A geochemical application

    Journal of Chemometrics

    Volume 25, Issue 6, June 2011, Pages: 329–332, Heleno Bolfarine, Héctor W. Gómez and Luisa I. Rivas

    Article first published online : 17 FEB 2011, DOI: 10.1002/cem.1378