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Despite the well-known stability and reproducibility problems of SERS, the validation was performed using two operators and five batches of nanoparticles, one for each validation day.
For each validation a receiver operating characteristic plot (ROC plot) and truth table were generated.
Detailed results on the running time for every property, and trace are plotted, for each validation environment, in Figure 7.
The accuracy, sensitivity and specificity are calculated for each validation fold and the mean and standard deviation were used as figures of merit.
Method based on the classical norms and on the standard operating procedures developed in the Biochemistry Department, gave for each validation criterion a value in agreement with the limitations of the previously cited norms.
We also calculated the maximum AUC (AUCmax) possible for each validation data set, given the distribution of validation datapoints available.
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Table 1 Database partitioning procedure for each cross validation run.
For each cross validation iteration, the data were partitioned into training and test sets.
Resampling occurred 100 times for each bootstrap validation.
For each comparison, validation was defined as expression in the direction predicted by microarray analysis.
This procedure included independent selection of candidate gene sets for each cross validation step.
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