Firstly, the reproducibility of the approach was studied with three runs with fixed seed for splitting the retention times into training and prediction datasets. This aim was to estimate the influence of other random factors on the result (e.g., initial weights in neural networks, the order of entries inside the training datasets). The average number of potentially erroneous retention times with 5 "yellow cards" was 1550 ± 7 (standard deviation). The intersection between the three sets of potentially erroneous retention times is 1361, or 88%. This data shows that, while the results are generally reproducible, there is some variance between runs even with fixed seed for splitting the initial dataset.