A method for calibration and validation subset partitioning.

@article{Galvo2005AMF,
  title={A method for calibration and validation subset partitioning.},
  author={Roberto Kawakami Harrop Galv{\~a}o and M{\'a}rio C{\'e}sar Ugulino de Ara{\'u}jo and Gledson Em{\'i}dio Jos{\'e} and M{\'a}rcio Jos{\'e} Coelho Pontes and Edvan Cirino da Silva and Teresa Cristina Bezerra Saldanha},
  journal={Talanta},
  year={2005},
  volume={67 4},
  pages={736-40}
}
This paper proposes a new method to divide a pool of samples into calibration and validation subsets for multivariate modelling. The proposed method is of value for analytical applications involving complex matrices, in which the composition variability of real samples cannot be easily reproduced by optimized experimental designs. A stepwise procedure is employed to select samples according to their differences in both x (instrumental responses) and y (predicted parameter) spaces. The proposed… CONTINUE READING

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