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So, again the decrease in the relevance of this descriptor was not great; it is still the most relevant descriptor overall in the set of model trees built by Bagging, even with 10% noise added to its value, which further reinforces our confidence in the predictive power of this descriptor.
At the nano scale, recent studies have highlighted that specific surface area should be used as the most relevant descriptor of toxicity instead of the conventional mass concentration.
Recall that a model tree's root node contains the most relevant descriptor for predicting Vss.
a. Local lazy regression (LLR): For each test compound, only one most relevant descriptor was selected to build a linear equation based on k nearest neighbors.
Hence, this can be considered by far the most relevant descriptor (out of the descriptors pre-selected by the CFS method) as evaluated by the Bagging M5P algorithm.
The best model built by M5P when using as input the 12 predicted log Kt:p descriptors for different tissues is a regression tree where log Kskin:plasma is the most relevant descriptor, occurring at the tree's root node.
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The most relevant descriptors give information on hydrogen-bonding characteristics and molecular volume.
Most relevant descriptors were found to encode size and hydrophobic interactions.
In order to select the most relevant descriptors different mathematical tools have been used as listed below.
SPSS (ver.16, http://www.spss.com) was used in variable selection step to select the most relevant descriptors.
For this reason, the selection of the most relevant descriptors is regarded as one of the most difficult and crucial tasks for QSAR/QSPR modeling [1, 2].
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Since I tried Ludwig back in 2017, I have been constantly using it in both editing and translation. Ever since, I suggest it to my translators at ProSciEditing.

Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com