CDD Vault Update: Cherry-Pick Your Search Results

Have you been looking at your screening results, thinking to yourself “If only I could choose the first, the fifth, and the five hundred and sixty-first molecule from this list to add to my collection”? Well, maybe you haven’t yet, but we think you’ll find yourself wondering how you ever survived without these handy green check-boxes.

Select Your Molecules

Once a table of results loads on the search page, a green check-box next to each structure determines whether a molecule should be included (checked) or excluded (unchecked). All molecules are selected by default, so you click the check-box to deselect. Once you have made your selection, save the molecules as a new collection or add them to an existing collection as usual. You can click-click-click your way through any large result set, or you can select/deselect all.


Plot or Export Only Your Selection

The selection on the search page applies not only to collections, but also to plot and export functions: only the selected molecules will be plotted or exported. Note that all results are selected by default, so you don’t need to modify the selection if you want to plot/export everything.


Load As Many Results As You Want

If you ever wanted to see more than 500 search results, your day has come! Click “Load next 100 results” at the bottom of the results table, and the table will keep growing until the full data set is displayed, regardless of size. Keep looking through the search results to find those interesting molecules to add to your collection.


Remove from Collection

There are two ways to do this. For a single molecule, go to the Molecule Details page and look under the Collections tab for links to remove it from collections.

For multiple molecules, you can easily overwrite the collection after unselecting the molecules you want to remove:

  1. Search for the molecules that are in the collection, using the “Collections” tools on the search page
  2. Unselect the molecules you want to remove
  3. Click “Add results to collection”
  4. Leave “New collection” selected, but type in the name of the current collection
  5. You will be asked if you want to overwrite the collection: click yes


Bonus Feature

We have spruced up the plates index page, adding the creation date of each plate and making some columns sortable.