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Browse the latest algorithms, datasets, and tools contributed by the global chemometrics community. Find resources, share your work, and stay updated.

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Normalized-2D-radial-pair-distributions

Normalized 2D radial pair distributions for molecular hydration analysis

8

Claus A. Andersson [1], Soren Balling Engelsen [1]MIT | 1.0 | 2026-02-19

Regression MATLAB

SCREAM

Shifted Covariates REgression Analysis for Multi-way data

11

Federico Marini [1], Rasmus Bro [2]MIT | 1.0 | 2026-02-19

Multiblock Analysis Toolbox MATLAB

Multi-block Toolbox

Multiblock PCA and PLS methods for multi-source data analysis

9

Frans van den Berg [1]MIT | 0.2 | 2026-02-19

Missing data MATLAB

INDAFAC

Sparse PARAFAC fitting for incomplete multi-way data via Levenberg-Marquardt

6

Giorgio Tomasi [1], Rasmus Bro [2]MIT | 1.0 | 2026-02-19

Data reader MATLAB

INCA

Imports and prepares Perkin-Elmer fluorometric data for MATLAB

5

Rasmus Bro [1], Claus A. Andersson [1]MIT | 1.41 | 2026-02-19

Preprocessing MATLAB

DTW and COW

Dynamic Time Warping and Correlation Optimized Warping for signal alignment

7

Giorgio Tomasi [1], Frans van den Berg [1] et al.MIT | 1.0 | 2026-02-19

Preprocessing MATLAB

EEMscat

Removes Rayleigh and Raman scatter from fluorescence EEM data

6

Morteza Bahram [1], Rasmus Bro [2] et al.MIT | 3.0 | 2026-02-19

Preprocessing MATLAB

FastChrom

Automated baseline correction, peak detection and grouping for chromatographic data

5

Lea G. Johnsen [1][2], Thomas Skov [2] et al.MIT | 2.0 | 2026-02-19

Regression MATLAB

Calibration Model Fusion

Merging and fusing multiple calibration models optimally

7

Helene Fog Froriep Halberg [1], Anette Yde Holst [2] et al.MIT | 1.0 | 2026-02-19

Unmixing MATLAB

Shift-Invariant Tri-linear Tensor model (SIT)

SIT decomposes multi-way data from GC-MS by modeling shift-invariant tri-linear structure, 20-60x faster than PARAFAC2.

4

Schneide, P.A. [1], Bro, R. [1] et al.MIT | 1.0 | 2026-02-18

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