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I am simulating a plasma concentration-time curve for a molecule that has transporter contribution but am having trouble with the optimization of Km and Vmax.
1) I use initial estimates for transpo…
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Dear All,
The figure below shows the fractions absorbed (Fa) of a drug from different GIT segments. As you can see the duodenum shows the lowest Fa. Is there any explanation for this major differen…
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Phases that do not have phase equilibria data should have their parameters fixed before the MCMC run.
A particular phase in an ESPEI run can have single phase DFT data and no phase equilibria. This…
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Example here: http://www.chemspider.com/Chemical-Structure.391783.html
`Water Solubility at 25 deg C (mg/L): 1.369e+004`
is read as 1.369.
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Even if it seems to be checked in code it ends with seg. fault.
Try to make it an death integration test.
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Parallel to the 5-N-linked experiments that @david1597 is [currently doing](https://github.com/OpenSourceMalaria/Series4/issues/47), I am repeating the experiments that gave me the original thioether …
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In PK-Sim should fields for “value origin mode” and “value description” be available also for all fields in Compound Building Block, e.g. for lipophilicity, solubility.
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The first batch of compounds for year (shown below) have now been shipped to Dundee for screening against _P. falciparum_.
UPDATE 24/3/18 RESULTS ARE IN AND ARE POSTED BELOW.
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Exporting and re-importing the sorafenib project from #648 will result in a long list of warnings, mostly parameters not being found. The JSON file import fails.
The nightly build of 07-May was used,…