Open-Systems-Pharmacology / PK-Sim

PK-Sim® is a comprehensive software tool for whole-body physiologically based pharmacokinetic modeling
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Improve display of interpolated solubility values for pH-solubility table #2846

Open AndreDlm opened 7 months ago

AndreDlm commented 7 months ago

When adding a pH-solubility table in the molecule building block, PK-Sim interpolates linearly between the defined values. That's fine.

However, I have issues with the display of the pH-solubility profile. Currently, a log-scaled plot is shown which connects the observed values with a a straight line which is wrong and very misleading. If the missing values are calculated by linear interpolation (as PK-Sim does), they will not form a straight line on a log scale, but an exponential curve.

See e.g. the example below which is taken from this discussion.

Linear scale:

image

Log scale:

image