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Package ‘ivivc’

April 17, 2009
Version 0.1.4 Date 2008-11-03 Title in vitro-in vivo correlation (IVIVC) modeling Author Hsin Ya Lee <u9583002@cc.kmu.edu.tw>, Yung-Jin Lee <pkpd.taiwan@yahoo.com.tw> Maintainer Hsin Ya Lee <u9583002@cc.kmu.edu.tw> Depends R (>= 2.5.0), stats4, rgenoud, odesolve, reshape, sciplot Description a menu-driven package for IVIVC model buidling and model validation License GPL (>= 2) URL http://pkpd.kmu.edu.tw/ivivc Repository CRAN Date/Publication 2008-11-04 08:07:23

R topics documented:
aicllsbc . . . bye . . . . . . check . . . . DepModel . . entertitle . . . fbolus1 . . . ffirst.lag . . . ffirst.nolag . . fzero.nolag . InVVRefcsv . InVVRefdata InVVTestcsv InVVTestdata iv.route . . . ivivc . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2 2 2 2 3 3 3 4 4 4 4 5 5 5 5

. . . . . . . . . . . . .non . . 6 6 6 6 6 7 7 7 7 7 8 8 9 aicllsbc Evaluation of model fit Description Three methods for evaluating model fitting: 1. . . . . . . . . . . . . . . . . . . .2 noniv. . . . . 2. . . . . . . . . PK . . . . . . . . . PKvalue . . . . . . . . . . . . . . . . . . . . . Index . . . . . . . . . . . .cp . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . DepModel Model Dependent Method Menu Description Provide the following one method for selection: 1. DepModel . . . . . Model Dependent Method . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . plotting. . . . . . . . . . . . . plotting. . . . . . . . . . . . . . . . . . . . PKfit . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . BIC (Bayesian information criterion. . . . . . . . . . . . . . . . . also known as Schwarz’s Bayesian criterion). . . . . . . . . . . . . . . . . . AIC (Akaike’s information criterion). . . . . . . . . . . . . . . . . . . . . . plotting. . . . plotting. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .route . . . .vitro run . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Log likelihood. . . . . . . . . . . . . . . . . .list . SelModel . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . check Check mechanism Description Checking if the initial value for parameter being zero. . . . . . bye The final step Menu Description Try again or Leave ivivc package. . . . . . . . . . . . . . . . . . .lin . . . . . . . . . . . . . . . . . . . WagNel . one. . . . . . . . . and 3. . . . . . . . . . . . . . . . . . . . . . . . . .

Y.htm ffirst. Y. and First-Ordered Absorption with Lag Time Model Description Includes user-supplied functions for model definition. allow them to enter it. J. single-dose. IV-Bolus. http://ce.tw/index.kmu.tw/index.lag Fitting Functions for a One-Compartment. J. SingleDose. http://ce. Lee and Y. PKfit: A Data Analysis Tool for Pharmacokinetics. and fitting algorithms for a one-compartment. and fitting algorithms for a one-compartment.kmu. Extravascular. Lee and Y. three kinds of weighting schemes for selection. integration method for solving ordinary differential equations. Lee. References C.entertitle 3 entertitle Enter the title for plots Description If users want to use their own name for x-axis and y-axis. PKfit: A Data Analysis Tool for Pharmacokinetics. IV-bolus.htm . three kinds of weighting schemes for selection. and single-dose model. References C. and first-ordered absorption with lag time model. fbolus1 Fitting Functions for a One-Compartment. and Single-Dose Model Description Includes user-supplied functions for model definition.edu.edu. Lee. extravascular. integration method for solving ordinary differential equations.

and first-ordered absorption without lag time model.white space. and First-Ordered Absorption without Lag Time Model Description Includes user-supplied functions for model definition.nolag Fitting Functions for a One-Compartment.tw/index.edu. and fitting algorithms for a one-compartment. Decimal: comma. http://ce. References C.kmu. or key in data in the data editor window. PKfit: A Data Analysis Tool for Pharmacokinetics. Lee and Y.RData form. References C. SingleDose. PKfit: A Data Analysis Tool for Pharmacokinetics.edu. SingleDose. and zero-ordered absorption without lag time model.tw/index. semicolon . extravascular.nolag Fitting Functions for a One-Compartment.htm fzero. three kinds of weighting schemes for selection. single-dose. extravascular. and Zero-Ordered Absorption without Lag Time Model Description Includes user-supplied functions for model definition. Y. Lee and Y. Loading data file which was saved as .kmu. oral solution or IR drugs. Y. Lee.htm InVVRefcsv choose separator and decimal type Description Separator : comma. Extravascular. integration method for solving ordinary differential equations. http://ce.csv form or . and fitting algorithms for a one-compartment. Extravascular. Lee. point. integration method for solving ordinary differential equations. J. InVVRefdata Input/Edit In Vivo raw data for IV. three kinds of weighting schemes for selection. .4 InVVRefdata ffirst. oral solution or IR drugs Description Users input/edit In Vivo raw data for IV. J.

or key in data in the data editor window. Rathod. semicolon . and single-dose model.371.868.2.997.95.62.3.33. A.91.(conc.5. Decimal: comma.891.18.616. . 222.6. Loading data file which was saved as .77. point.3.92. K.3.1..iv data: Dose=200 mg Vd=35 L Ke=0. Mukherjee. Shishoo.8) conc.2.RData form.4. Savale.InVVTestcsv 5 InVVTestcsv choose separator and decimal type Description Separator : comma. IV-bolus. 64.7.8) FRD=c(0. and P.3.Pharm.obs) Time=c(0.obs=c(0.3. J.3.5. S.in vitro dissolution (FRD) and in vivo observed plasma conc. Shah. S.0863 h-1 2.7.7.1.csv form or .white space.3. Sci. I.411. 2002.route Options for Parenteral Models Menu Description Provide the following one PK models for selection: 1. InVVTestdata Input/Edit In Vivo raw data for extended release formulations with different rates and Edit In Vitro Dissoution Data Description Users input/edit edit In Vivo raw data for extended release formulations with different rates and In Vitro Dissoution Data. .433) References C.84. S. one-compartment.9.3. iv. Indian J.45.0. ivivc ivivc Demo Description 1. S.4.

PK PK value from references Menu Description Users can use an existed PK Data Files or Enter PK value from references PKfit PK fitting for IV.6 PKvalue noniv. one-compartment. and 2. one-compartment.route Options for Extravascular Models Menu Description Provide the following three PK models for selection: 1. and firstordered absorption with lag time model. or enter PK parameters from Literatures. . 1-Compartment PK Model PKvalue PK parameter value Menu Description User can get PK parameters from curve fitting (PKfit). 2. one. single-dose. IR. and zero-ordered absorption without lag time model.list Options for One-Compartment Models Menu Description Provide the following two PK models for selection: 1. non IV route model. single-dose. IV (bolus or infusion) model. 3. single-dose. and first-ordered absorption without lag time model. oral solution data: PK fitting Menu Description Provide the following one method for selection: 1. one-compartment.

oral solution or IR drug.plotting.non Plot for Nonlinear Model Description Plot for nonlinear pharmacokinetic model for IV. oral solution or IR drug.cp 7 plotting. plotting.(observed).vitro plot in vitro dissolution Description Plot for in vitro dissolution data run List of ivivc Menu Description ivivc Menu . plotting. Description plot plasma conc.. plotting.cp plot plasma conc.lin Plot for Linear Model Description Plot for linear pharmacokinetic model for IV.

R.calculate conc. G.8 WagNel SelModel Model Dependent or Independent Method Description Provide the following one method for selection: 1. M. S. M. D.Plot In vivo Absorption : Fraction of Absorption( 9.net/reviews/simplified-mathematical-approach-back-calculationwagner-nelson-method . time References Dr. Dabhi.PECmax(Average absolute prediction error of Cmax) 7. C. Joshi and A.pharmainfo.In vivo plasma concentration (Predicted): Plasma conc.perform a Linear Regression 4. Delvadia. http://www.Mukesh Gohel * .pred (predicted concentration) 6. C. Soni. Simplified Mathematical Approach for Back Calculation in Wagner-Nelson Method. D.calculate AUC(0~t) 2.calculate Fab ( 3. Sarvaiya R. vs. Parikh. K. Model Dependent Method WagNel Wagner-Nelson method Description Nine functions in Wagner-Nelson method: 1.calculate FABpred( 5.PEAUC (Average absolute prediction error of AUC) 8. R. Zinzuwadia.

6 plotting. 6 plotting.cp.non.route.lin. 5 noniv. 7 .nolag. 5 one. 7 SelModel. 2 fbolus1. 3 fzero.lag. 7 WagNel. 4 InVVRefdata. 6 plotting.list. 4 InVVTestcsv. 2 fbolus1. 1 bye.route.lag. 3 9 ffirst. 3 InVVRefcsv.nolag. 5 PKfit. 3 ffirst. 4 ivivc. 6 plotting.list.cp. 2 DepModel. 2 entertitle.non. 3 fzero. 4 InVVTestdata. 7 run. 2 check. 7 WagNel. 2 entertitle. 7 aicllsbc. 6 PKvalue.nolag. 6 plotting.vitro. 5 noniv. 2 DepModel. 2 ffirst. 4 iv. 6 plotting. 1 bye. 2 ffirst. 6 PKvalue. 4 iv.vitro. 7 run. 6 plotting.route. 5 one. 2 check. 4 InVVRefdata.nolag. 4 InVVTestdata. 5 PK. 4 ivivc. 5 PKfit.lin.route.Index ∗Topic misc aicllsbc. 5 PK. 7 SelModel. 4 InVVTestcsv. 6 plotting. 3 InVVRefcsv.