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The above task is a Pareto problem: one has to balance similarity to existing chemical compounds and correctness of predictions offered by available models.
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To evaluate the extent to which the scoring systems were valid for prediction of mortality the sensitivity (S), specificity (E), overall correctness of prediction, positive and negative predictive values (PPV, NPV) were all determined.
For the different scoring systems tested, the sensitivity, specificity, overall correctness of prediction, positive and negative predictive values were calculated, and the cutoff point giving the best Youden index was determined [ 44].
However, when the three physiologic variables and age were added sequentially into the regression model, the ISS contributed only an additional 0.4% to the correctness of prediction.
Concordance is a measure of the correctness of the predictions of the hypothesis, whether observed changes agree with unambiguous predictions.
The best values of the control parameters are determined iteratively by assigning some values to them, constructing the associated pandect, verifying the correctness of its predictions, reassigning the values, and continuing this sequence of steps until one arrives at a pandect with highly accurate predictions.
The observations were used to evaluate the correctness of the predictions obtained from theoretical and empirical models, the latter used frequently by the wind engineering community.
Accuracy or concordance is a measure of correctness of overall predictions.
Nonetheless, the correctness of these predictions is of major importance for the eventual performance of the proposed algorithms.
As we knew the real polymeric structure, we were able to calculate the correctness of s2m predictions.
Recall measures the number of correctly identified positive instances, precision describes the correctness of positive predictions and the MCC is a balanced measure of binary classification effectiveness, ranging from −1 to 1, with 1 referring to perfect prediction.
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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