admetshiny v1.0.1.

Visualizations

1.Added PERMANOVA statistics (R2, F, p-value) to PCA, t-SNE and UMAP plots via vegan::adonis2(), computed on the original distance matrix.

2.Added cumUlative R2 to the PCA subtitle.

3.Added Shapiro-Wilk normality test and descriptive statistics (n, mean, SD, median, IQR) to plotMW, plotTPSA and plotLogP subtitles.

4.Added Kruskal-Wallis test to plotHistogramCustom and plotViolinsubtitles, Wilcoxon, test for the two-group colour support.

5.Improved the cluster heatmap with a labelled colour key (key.title, key.xlab), finer colour breaks, and NA colour support.

6.Fixed plotClusterHeatmap to handle NULL inputs from renderUI (method, palette, scale_data) with safe defaults.

7.Increased report figure resolution from 150 to 300 dpi.

Dark mode

1.Fixed the report preview container showing invisible text in dark mode (white background with light text).

PubChem / Webchem compatibility update

1. Updated pc_prop() property names for webchem 2.0: CanonicalSMILES is now ConnectivitySMILES. IsomericSMILES is now SMILES. Added column rename for backwards compatibility.

New dependencies

1.Added vegan to Imports for PERMANOVA computation.

2.Added importFrom for stats::as.hclust, stats::cophenetic, stats::rect.hclust, stats::kruskal.test, stats::quantile, stats::shapiro.test, stats::wilcox.test.

3.Added importFrom for vegan::adonis2()