Beilstein J. Nanotechnol.2021,12, 1297–1325, doi:10.3762/bjnano.12.97
-fertilisation data were found to be harder to predict, which could reflect different exposure routes. Hence, subsequent analysis focused on the prediction of excess lethality at 120 hours-post fertilisation. The use of two dataaugmentation approaches, applied for the first time in nano-QSAR research, was
these modelling results are on truly external data, which were not used to select the single descriptor model. This will require further laboratory work to generate comparable data to those studied herein.
Keywords: dataaugmentation; embryonic zebrafish; machine learning; nanosafety; nano-QSAR
our study is that we explored two dataaugmentation approaches which, to the best of our knowledge, have never previously been applied in published nano-QSAR research, as a means of addressing the widely known issues with limited availability of suitable data for nano-QSAR development [20][33][34
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Figure 1:
The laboratory method used to obtain the raw counts data for the lethal and sub-lethal endpoints ev...
Beilstein J. Nanotechnol.2021,12, 878–901, doi:10.3762/bjnano.12.66
over-fitting. Since there are more examples in the data set, a more general model is obtained. Collecting more data would increase the data set size, but this may not be feasible. Another solution is dataaugmentation.
Dataaugmentation [9][10][13] is a method to increase the sample data set size, for
approaches to improve them, for example by enhancing contrast and increasing the amount of training data by data-augmentation methods mentioned above [7][97], or by using classical image reconstruction methods such as nearest neighbor, bilinear, or bicubic interpolations [99].
One way to exploit the power of
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Figure 1:
Linear decision boundary (green straight line) that separates between samples belonging to two diff...