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Data sets were built using the OligoGenerator program of [ 20].
Finally, three constraint sets were built using different maximal distance cutoffs (12 Å, 16 Å, 20 Å).
Finally, two predictive risk stratification trees were built using the training dataset.
Models were built using the same data as the BIOCLIM models using Maxent version 2.3.0 [ 61].
Characterization maps were built using data from both techniques.
All regression models were built using weighted data.
Finally, a classifier is built using these activations instead of the original labeled data.
The final model is built using all training set data.
The preclinical PD model was built using data obtained using a pancreatic cell line.
Finally, the most parsimonious model that still explains the data was built for each outcome.
Finally, a multivariable logistic regression model was built using variables remaining from the tabular and univariate analyses.
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