Drugs with allometry and Physiology inside - Animal to Human

Download: Github Release

 

More improvements will be coming soon. We value your feedback, so if you have something to share then email us at yimds@catholic.ac.kr. 

 

* When you upgrade to the current version, the previously installed version should be removed.

 

Release note (0.9.8.5) 

1. Minor changes (default uncheck status and order of data input) in the Basic Info tab were given to avoid confusion.

 

Release note (0.9.8) 

1. The error in the PBPK method section in the Distribution tab was corrected.

 

Release note (0.9.7) 

1. The calculation and simulation speed has been improved.
2. In NCA tab, the digit of numbers is fixed. 
3. Minor bugs are corrected.

 

Release note (0.9.6)

1. Noncompartmental analysis is possible (NCA tab).
2. In distribution tab, more Kp calculation methods can be selected.
3. A save/load feature is available using a Microsoft Excel file (xlsx).

 

Release note (0.9.5)

1. In Elimination tab, previously, Hepatic CL of CLh (Method2) based on microsome assay was calculated only with Rat data, now Dog and Monkey data can be used.
2. In Basic info tab, a field to receive the fu_monkey value required for calculation was added.
3. In Elimination tab, the fu_mic and fu_hep values were not properly reflected in the CLh and Fh result values.

 

Release note (0.9.4)

1. Erroneous simulation of i.v. infusion was corrected in the “Conc. Prediction” tab.
2. The unit of Vdss in the “Conc. Prediction” tab was corrected.
3. Both Fa(Caco) and Fa(Caco, ki) are presented in the “Final Parameters” tab.

 

Release note (0.9.3)

1. Notes were added for the details of the parameters.

2. Conc. Prediction Tab: The values of the AUC of a single dosing (AUC_{single dose,tau}) over dosing interval, AUC of steady state over dosing interval (AUC_ss,tau), peak concentration at steady state (Cmax,ss) were added.

3. ‘CLother’ was added in the Elimination tab to allow users to input intrinsic hepatic CL values according to their prior knowledge or information.

4. Some parameter names were changed for clarification. (Check the abbreviation section in manual!) 

5. Hepatocyte surface area calculation method used to predict passive diffusion CL was fixed.

 

Release note (0.9.2)

1. Erroneous simulation due to inconsistent units of final parameters was fixed.

 

Release note (0.9.1)

1. User Interface of Elimination tab was redesigned.

2. Elimination Tab: Fh is calculated automatically using CL_h,int according to the dispersion model.

3. Minor bugs (weight units of animal species, units of plot axis, etc) were corrected.

4. The equation used internally to calculate CL_perm in the Fg prediction step was revised.

 

Release note (0.9.0)

 

1. The completely redesigned user interface (UI) and new features are introduced.

2. Concentration Prediction tab: The simulation speed for concentration prediction has been substantially improved by adopting the mrgsolve R package.

3. Full PBPK tab: The new feature implementing the simulation of plasma and tissue concentration profiles using a full PBPK model is available.

4. The PBPK approach in the Distribution tab: The predicted human tissue distribution (Kp) values in various tissues instead of Vss values are presented to the user.

 

Release note (0.8.9)

1. Allometric approach in the Elimination tab: the unit of CL (L/hr) was corrected to “L/hr/kg”, and the same unit was marked in the "Allometric scaling result" box.

2. Allometric approach in the Distribution tab and the Elimination tab: When the brain weight (bw) or maximum life span (mlp) was chosen, the errors of omitting bw and mlp at the final calculation formulas for Q and CL were corrected. 

3. “Hepatocyte” in the “in vitro/in vivo” option of the Elimination tab: the title of the fraction “Vcell/Vincubation” was corrected to “Ncell/Vincubation”.

4. The human body weight fixed to 70 kg was revised so that the user may choose between 60 and 70 kg. 

 

Release note (0.8.8)

1. Elimination tab: The error in the body weight unit at the allometric CL prediction step was fixed.

2. Final Parameter tab: The error in the display of Vss for a 1 compartment model was fixed.

3. Distribution tab: The error in using the brain weight and MLP at the allometric Q prediction
step was fixed.

4. Distribution tab: At the allometric 1 compartment model, the ka and Fa_Caco are automatically given like in the case of the 2 compartment model.

5. JRE (Java Runtime Environment) was changed from the Oracle JRE to the open JRE.

 

Release note (0.8.7)

1. Qgut model was included to predict the intestinal bioavailability (Fg)

2. Allometric calculation methods of CL was added.

 

Release note (0.8.6)

1. In the Absorption tab, the reference Caco-2 Papp values of propranolol and atenolol that are used for the calibration of the user-input Papp were replaced with those obtained from the method of Usansky’s report (J Pharmacol Exp Ther. 2005; 314: 391-399): but, they are not visible to users.

2. The Fa_Caco calculation method was replaced with that used in the Usansky’s report (J Pharmacol Exp Ther. 2005; 314: 391-399) to avoid suspected overestimation.

3. Resolution of simulated concentration plots was improved.

4. Bugs in the automatic parameter calculation were fixed.