R中的药代软件包

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用于药代参数计算的R软件包还不少，有时间了可以试试：

Bear (BE/BA for R)
This package was created by Hsin-ya Lee and Yung-jin Lee. It was designed to analyze average bioequivalence (ABE) data from noncompartmental analysis (NCA) to ANOVA (using lm() for a 2x2x2 crossover; otherwise lme()). Study design of ABE can be 2x2x2 crossover or repeated crossover (2x2x2, 2x2x3,...2x2x6) or a parallel study. The dosing can be single- or multiple-dose. The statistical analysis for bioavailability (BA) measurements (AUCs and Cmax) was based on the two one-sided tests (Schuirmann, 1987). ABE involves the calculation of 90% confidence intervals for the ratio of the averages of the measures for the test and reference products. The BE will be concluded based on the calculated 90%CIs falling within 80-125% (or up to user's defined). Bear is an open-sourced freeware under the GPL license. System requirements: R (>= 2.9.0); Platforms: MS Windows (XP/Vista), Mac, and Linux-PC. Contact: Yung-jin Lee, Ph.D.,e-mail: mobilePK@gmail.com

ivivc for R
A simple but easy-to-use menu-driven package created for data analysis of ivivc modeling and model validation. ivivc for R is an open-sourced freeware under the GPL license, and was developed by Hsin-ya Lee & Yung-jin Lee. System requirements: R (>= 2.9.0); Platforms: MS Windows (XP/Vista), Mac, and Linux-PC. Contact: Yung-jin Lee, Ph.D.,e-mail: mobilePK@gmail.com.

PK: Basic Pharmacokinetics for R
A pharmacokinetic tool for data analysis in R (http://www.r-project.org) developed and maintained by Martin J. Wolfsegger and Thomas Jaki

PKfit for R
A pharmacokinetic tool for data analysis in R (http://www.r-project.org/) developed and maintained by Chun-Ying Lee and Yung-Jin Lee. PKfit utilizes all available packages for R to integrate this PK tool. These packages include lsoda (in odesolve package) for solving all differential equations used to define the PK models; three different data fitting algorithms: nls for Gauss-Newton for non-linear regression; optim for Nelder-Mead simplex for minimization; and genoud for the genetic algorithm. A menu-driven interface was built. A variety of pharmacokinetic models were pre-defined in PKfit: intravenous drug administrations with bolus or infusion, extravascular drug administrations, the linear (1st-order absorption/elimination) models and the nonlinear (Michaelis-Menten) models. Two weighting schemes, 1/Cp (obs) and 1/Cp^2 (obs), were also implemented. The output from PKfit includes a summary table (time, observed and calculated concentrations, weighted residuals, area under plasma concentration curve, and area under the first moment curve), goodness-of-fit statistic, final PK parameter values, model selection criteria (Akaike's Information Criterion (AIC), Schwarz's Bayesian Criterion (SBC) and Log likelihood) and diagnostic plots for nls such as linear plots, semi-log plots, and residual plots. PKfit is an open-sourced freeware under the GPL license. System requirements: R (>= 2.9.0), odesolve, and rgenoud; Hardware requirements: now PKfit can run normally on Windows NT/XP and Mac OS X version. Contact: Yung-jin Lee, Ph.D., e-mail: mobilePK@gmail.com

stab for R
This package was created by Hsin-ya Lee and Yung-jin Lee. It was designed to analyze pharmaceutical stability data. We follow the ICH guideline 'Q1E Evaluation for Stability Data' (from USA FDA site) to design this tool (Here's its .pdf). This guideline describes when extrapolation should be considered as proposing a retest period for a drug substance or a shelf life of a drug product that extends beyond the period covered by available data from the stability study under the long-term storage condition. Stab for R is an open-sourced freeware under the GPL license. System requirements: R (>= 2.9.0); Platforms: MS Windows (XP/Vista), Mac, and Linux-PC. Contact: Yung-jin Lee, Ph.D., e-mail: mobilePK@gmail.com.

tdm for R
A variant application for R based on JPKD except no user defined model function. It was developed and maintained by Miou-Ting Chen and Yung-Jin Lee. TDM can be used to estimate individual pharmacokinetic parameters with one or more drug serum/plasma concentrations obtained from a single subject or multiple subjects using OpenBugs (an open-source BUGS, Bayesian inference Using Gibbs Sampler with Markov Chain Monte Carlo integration) interfaced through the R package - BRugs. It includes as many clinical frequently-used drug models as JPKD. Besides, it also provides dosage adjustment functions. Diagnostic plots after parameter estimations include updated-history (trace) plots and probability density function (pdf) plots for each parameter. tdm for R is an open-sourced freeware under the GPL license. System requirements: R (>= 2.9.0) and BRugs; Platforms: now TDM only runs on Windows NT/XP because OpenBugs can only run on Windows. Contact: Yung-jin Lee, Ph.D.,email: mobilePK@gmail.com

Xpoose
is an R-based model building aid for population analysis using NONMEM. It facilitates data set checkout, exploration and visualization, model diagnostics, candidate covariate identification and model comparison.