--- title: "ML Covariate Screening With Synthetic PK Parameters" output: rmarkdown::html_vignette vignette: > %\VignetteIndexEntry{ML Covariate Screening With Synthetic PK Parameters} %\VignetteEngine{knitr::rmarkdown} %\VignetteEncoding{UTF-8} --- ```{r, include = FALSE} knitr::opts_chunk$set(collapse = TRUE, comment = "#>") ``` # Purpose This vignette demonstrates the public `pharmax.ml` workflow using synthetic data with a known covariate signal. The example is exploratory decision support only. It is not regulatory validation and does not use proprietary clinical data. ```{r setup} library(pharmax.ml) ``` # Synthetic Data ```{r} set.seed(2026) n <- 120 demo <- data.frame( COV_WT = rnorm(n, 70, 10), COV_AGE = rnorm(n, 55, 12), COV_ALB = rnorm(n, 4.2, 0.4) ) demo$ETA_CL <- 0.7 * scale(demo$COV_WT)[, 1] + rnorm(n, sd = 0.3) demo$ETA_V <- 0.5 * scale(demo$COV_ALB)[, 1] + rnorm(n, sd = 0.4) ``` # Data Quality ```{r} quality <- px_data_quality(demo) quality ``` # Covariate Screening ```{r} screen <- px_covariate(demo, method = "auto", n_top = 3) screen ``` # Conformal Prediction ```{r} calibration_truth <- demo$ETA_CL[1:80] calibration_pred <- calibration_truth + rnorm(80, sd = 0.2) new_pred <- c(-0.5, 0, 0.5) px_conformal(calibration_truth, calibration_pred, new_pred, alpha = 0.1) ``` # Interpretation The known signal in this synthetic example is `COV_WT` for `ETA_CL`. A useful screening method should rank `COV_WT` highly. This is a functional demonstration, not proof of real-world clinical validity.