Dimensionality reduction algorithms can now be customized to suit specific needs. This technique is particularly useful in Chemical space
and Activity cliffs
functions when visualizing high-dimensional molecule data on a 2D scatter plot. To achieve this, UMAP
and t-SNE
are two available options.
To customize parameters, simply click on the Settings icon near the algorithm selection field, which will expand the list of parameters. Each algorithm has its own set of adjustable parameters, accompanied by a tooltip providing more detailed information.
By utilizing these customizable settings, data exploration becomes more precise by tailoring the settings according to the specifics of the data.