Chemical Space Explorer
Visualize lipid embedding space and structure-activity relationships.
Color by
Color points by predicted mRNA transfection potencyscatter_plotUMAP Embedding
UMAP-2UMAP-1
scatter_plot
Ensemble Scoring Required
UMAP embedding is generated from TransMA ensemble model outputs. Run a pipeline with ensemble mode enabled to compute molecular embeddings for the 0 lipids in the database.
Database: 0 lipidsActivities: 0Coloring: mTP ScoreFilter: Scored
analyticsSAR Analysis
analytics
Structure-activity relationship analysis populates after ensemble scoring identifies statistically significant structural features.
Tertiary aminesawaiting data
Tail saturationawaiting data
Linker typeawaiting data
Brominationawaiting data
Head group sizeawaiting data
scienceSelected Lipid
touch_app
Click a point in the scatter plot to inspect lipid details, SMILES, and predicted properties.
SMILES--
mTP Score--
Uncertainty--
pKa--
Iteration--