Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
4765119 | Data in Brief | 2017 | 4 Pages |
Abstract
The data presented in this article are related to the article titled "Molecular Dynamics as a tool for in silico screening of skin permeability" (Rocco et al., 2017) [1]. Knowledge of the confidence interval and maximum theoretical value of the correlation coefficient r can prove useful to estimate the reliability of developed predictive models, in particular when there is great variability in compiled experimental datasets. In this Data in Brief article, data from purposely designed numerical simulations are presented to show how much the maximum r value is worsened by increasing the data uncertainty. The corresponding confidence interval of r is determined by using the Fisher râZ transform.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
Paolo Rocco, Francesco Cilurzo, Paola Minghetti, Giulio Vistoli, Alessandro Pedretti,