test_that("Test DRomics on metabolomic data", { skip_on_cran() # importation and check of metabolomic data datafilename <- system.file("extdata", "metabolo_sample.txt", package="DRomics") (o <- continuousomicdata(datafilename, check = TRUE)) plot(o) # item selection using the quadratic method # options to put in shiny : select.method (3 methods), FDR (numerical positive value < 1) (s_quad <- itemselect(o, select.method = "quadratic", FDR = 0.001)) (s_lin <- itemselect(o, select.method = "linear", FDR = 0.001)) (s_ANOVA <- itemselect(o, select.method = "ANOVA", FDR = 0.001)) # no options in shiny (f <- drcfit(s_quad, progressbar = TRUE)) f$fitres plot(f) # evaluate the impact of preventsfitsoutofrange, enablesfequal0inGP, enablesfequal0inlGP data(Scenedesmus_metab) (o1 <- continuousomicdata(Scenedesmus_metab, check = TRUE)) # datafilename <- system.file("extdata", "metabolo_sample.txt", package="DRomics") # (o1 <- continuousomicdata(datafilename, check = TRUE)) s_quad1 <- itemselect(o1, select.method = "quadratic", FDR = 0.1) (f1 <- drcfit(s_quad1, preventsfitsoutofrange = FALSE, enablesfequal0inGP = FALSE, enablesfequal0inLGP = FALSE, progressbar = TRUE)) (f1bis <- drcfit(s_quad1, preventsfitsoutofrange = TRUE, enablesfequal0inGP = FALSE, enablesfequal0inLGP = FALSE, progressbar = TRUE)) (f1ter <- drcfit(s_quad1, preventsfitsoutofrange = TRUE, enablesfequal0inGP = TRUE, enablesfequal0inLGP = TRUE, progressbar = TRUE)) (idremovedinf1bis <- f1$fitres$id[!is.element(f1$fitres$id, f1bis$fitres$id)]) # targetplot(items = idremovedinf1bis, f1) (idchanged <- f1bis$fitres$id[which(f1bis$fitres$model != f1ter$fitres$model | f1bis$fitres$f != f1ter$fitres$f)]) # targetplot(items = idchanged, f1bis, dose_log_transfo = TRUE) # targetplot(items = idchanged, f1ter, dose_log_transfo = TRUE) f1bis$fitres[f1bis$fitres$id %in% idchanged, ] f1ter$fitres[f1ter$fitres$id %in% idchanged, ] # no impact on those data # calculation of benchmark doses # options in shiny : z (numerical positive value), x (numerical positive value : percentage) (r <- bmdcalc(f, z = 1, x = 10)) (r.2 <- bmdcalc(f, z = 2, x = 50)) # plot of BMD # options in shiny : BMDtype (2 possibilities), plottype (3 possibilities), by (3 possibilities) # hist.bins (integer for hist only) plot(r, BMDtype = "zSD", plottype = "ecdf", by = "none") plot(r, BMDtype = "xfold", plottype = "ecdf", by = "none") plot(r, plottype = "hist", by = "none", hist.bins = 10) plot(r, plottype = "density", by = "none") plot(r, plottype = "ecdf", by = "trend", hist.bins = 10) # various plot of fitted curves (without data) curvesplot(r$res, xmax = max(r$omicdata$dose), facetby = "model", colorby = "model") curvesplot(r$res, xmax = max(r$omicdata$dose), facetby = "typology") # plot of selection of curves curvesplot(r$res[r$res$trend == "U", ], xmax = max(f$omicdata$dose), facetby = "id") # niter <- 1000 niter <- 10 # Calculation of confidence intervals on BMDs by Bootstrap b <- bmdboot(r, niter = niter) # niter should be fixed at least at 1000 to get a reasonable precision plot(b) })