| # | Title | Journal | Year | Citations |
|---|
| 1 | PLS-regression: a basic tool of chemometrics | Chemometrics and Intelligent Laboratory Systems | 2001 | 7,224 |
| 2 | PARAFAC. Tutorial and applications | Chemometrics and Intelligent Laboratory Systems | 1997 | 2,318 |
| 3 | The Mahalanobis distance | Chemometrics and Intelligent Laboratory Systems | 2000 | 1,649 |
| 4 | Least squares formulation of robust non-negative factor analysis | Chemometrics and Intelligent Laboratory Systems | 1997 | 1,560 |
| 5 | Performance of some variable selection methods when multicollinearity is present | Chemometrics and Intelligent Laboratory Systems | 2005 | 1,520 |
| 6 | SIMPLS: An alternative approach to partial least squares regression | Chemometrics and Intelligent Laboratory Systems | 1993 | 1,517 |
| 7 | Disturbance detection and isolation by dynamic principal component analysis | Chemometrics and Intelligent Laboratory Systems | 1995 | 1,207 |
| 8 | Multivariate curve resolution applied to second order data | Chemometrics and Intelligent Laboratory Systems | 1995 | 1,193 |
| 9 | A review of variable selection methods in Partial Least Squares Regression | Chemometrics and Intelligent Laboratory Systems | 2012 | 1,177 |
| 10 | Introduction to multi-layer feed-forward neural networks | Chemometrics and Intelligent Laboratory Systems | 1997 | 1,092 |
| 11 | The N-way Toolbox for MATLAB | Chemometrics and Intelligent Laboratory Systems | 2000 | 1,010 |
| 12 | A graphical user-friendly interface for MCR-ALS: a new tool for multivariate curve resolution in MATLAB | Chemometrics and Intelligent Laboratory Systems | 2005 | 964 |
| 13 | The successive projections algorithm for variable selection in spectroscopic multicomponent analysis | Chemometrics and Intelligent Laboratory Systems | 2001 | 956 |
| 14 | Orthogonal signal correction of near-infrared spectra | Chemometrics and Intelligent Laboratory Systems | 1998 | 911 |
| 15 | Experimental design and optimization | Chemometrics and Intelligent Laboratory Systems | 1998 | 898 |
| 16 | Particle swarm optimization (PSO). A tutorial | Chemometrics and Intelligent Laboratory Systems | 2015 | 885 |
| 17 | Monte Carlo cross validation | Chemometrics and Intelligent Laboratory Systems | 2001 | 769 |
| 18 | Genetic algorithms applied to feature selection in PLS regression: how and when to use them | Chemometrics and Intelligent Laboratory Systems | 1998 | 664 |
| 19 | Multi-way partial least squares in monitoring batch processes | Chemometrics and Intelligent Laboratory Systems | 1995 | 647 |
| 20 | Process analysis, monitoring and diagnosis, using multivariate projection methods | Chemometrics and Intelligent Laboratory Systems | 1995 | 624 |
| 21 | MCR-ALS GUI 2.0: New features and applications | Chemometrics and Intelligent Laboratory Systems | 2015 | 611 |
| 22 | zCompositions — R package for multivariate imputation of left-censored data under a compositional approach | Chemometrics and Intelligent Laboratory Systems | 2015 | 608 |
| 23 | Fault diagnosis in chemical processes using Fisher discriminant analysis, discriminant partial least squares, and principal component analysis | Chemometrics and Intelligent Laboratory Systems | 2000 | 549 |
| 24 | Be aware of error measures. Further studies on validation of predictive QSAR models | Chemometrics and Intelligent Laboratory Systems | 2016 | 536 |
| 25 | On a simple approach for determining applicability domain of QSAR models | Chemometrics and Intelligent Laboratory Systems | 2015 | 534 |
| 26 | Review on data-driven modeling and monitoring for plant-wide industrial processes | Chemometrics and Intelligent Laboratory Systems | 2017 | 489 |
| 27 | Nonlinear PLS modeling | Chemometrics and Intelligent Laboratory Systems | 1989 | 478 |
| 28 | Further exploring rm2 metrics for validation of QSPR models | Chemometrics and Intelligent Laboratory Systems | 2011 | 478 |
| 29 | Recursive feature elimination with random forest for PTR-MS analysis of agroindustrial products | Chemometrics and Intelligent Laboratory Systems | 2006 | 452 |
| 30 | Analysis of variance (ANOVA) | Chemometrics and Intelligent Laboratory Systems | 1989 | 447 |
| 31 | Some recent developments in PLS modeling | Chemometrics and Intelligent Laboratory Systems | 2001 | 442 |
| 32 | Generalized contribution plots in multivariate statistical process monitoring | Chemometrics and Intelligent Laboratory Systems | 2000 | 440 |
| 33 | A variable selection method based on uninformative variable elimination for multivariate calibration of near-infrared spectra | Chemometrics and Intelligent Laboratory Systems | 2008 | 438 |
| 34 | Comparing the predictive accuracy of models using a simple randomization test | Chemometrics and Intelligent Laboratory Systems | 1994 | 429 |
| 35 | Fault detection in industrial processes using canonical variate analysis and dynamic principal component analysis | Chemometrics and Intelligent Laboratory Systems | 2000 | 429 |
| 36 | Image texture analysis: methods and comparisons | Chemometrics and Intelligent Laboratory Systems | 2004 | 427 |
| 37 | Scalable tensor factorizations for incomplete data | Chemometrics and Intelligent Laboratory Systems | 2011 | 422 |
| 38 | Transfer of multivariate calibration models: a review | Chemometrics and Intelligent Laboratory Systems | 2002 | 420 |
| 39 | The bootstrap: a tutorial | Chemometrics and Intelligent Laboratory Systems | 2000 | 399 |
| 40 | Fault detection and identification of nonlinear processes based on kernel PCA | Chemometrics and Intelligent Laboratory Systems | 2005 | 392 |
| 41 | Analysis of different modes of factor analysis as least squares fit problems | Chemometrics and Intelligent Laboratory Systems | 1993 | 368 |
| 42 | Using support vector machines for time series prediction | Chemometrics and Intelligent Laboratory Systems | 2003 | 364 |
| 43 | Understanding and controlling rotations in factor analytic models | Chemometrics and Intelligent Laboratory Systems | 2002 | 348 |
| 44 | Receiver operating characteristics curves and related decision measures: A tutorial | Chemometrics and Intelligent Laboratory Systems | 2006 | 344 |
| 45 | LIBRA: a MATLAB library for robust analysis | Chemometrics and Intelligent Laboratory Systems | 2005 | 339 |
| 46 | Modelling and diagnostics of batch processes and analogous kinetic experiments | Chemometrics and Intelligent Laboratory Systems | 1998 | 332 |
| 47 | Application of LS-SVM to non-linear phenomena in NIR spectroscopy: development of a robust and portable sensor for acidity prediction in grapes | Chemometrics and Intelligent Laboratory Systems | 2004 | 330 |
| 48 | Comparing support vector machines to PLS for spectral regression applications | Chemometrics and Intelligent Laboratory Systems | 2004 | 306 |
| 49 | D-optimal designs | Chemometrics and Intelligent Laboratory Systems | 1995 | 305 |
| 50 | Missing data methods in PCA and PLS: Score calculations with incomplete observations | Chemometrics and Intelligent Laboratory Systems | 1996 | 302 |
