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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.
QikProp generates physically relevant descriptors and uses them to perform ADMET predictions.
The network comprises two Convolutional Neural Networks (CNNs) to extract convolutional activations, and generates relevant descriptors for pedestrian matching.
Relevant descriptors of tumor metabolism are now required to better stratify patients for the development of personalized metabolic medicine.
In order to select the most relevant descriptors different mathematical tools have been used as listed below.
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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.
Recall that a model tree's root node contains the most relevant descriptor for predicting Vss.
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.
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.
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.
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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