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    May 2, 2023

    CDD Vault Update (May 2023): CDD Vault Visualization Enhancements, Mapping Templates to Import Mixtures and Easily Copy Molfiles

    Visualization: Highlight/Star Your Favorite Molecules

    Users may now select/star “favorite” Molecules in a CDD Vault Visualization session.

    Toggle the filter in the sidebar and these “favorite” Molecules will be highlighted in all of your plots and tables. Easily compare records without filtering out your entire set.

    Visualization: Manipulate the Arbitrary Line

    An arbitrary line added to a scatterplot can now be freely manipulated within the plot. A new line will automatically appear with a small offset from the linear regression. Click anywhere on the line and it becomes interactive: drag, rotate, and shift directly on the plot.

    Visualization: Select/Deselect All in Lists

    When customizing your list of parameters to display within Visualization, there are now buttons to Select All or None. This same option is available when calculation properties.

    Visualization: Export Molecule pop-up to PDF

    When you click on an ID or a chemical structure in Visualization, a Molecule pop-up is shown. Configure the display to group fields together across tables and then export to a PDF.

     

    Mapping Templates to Import Mixtures

    As with other entity types, users may now save Mapping Templates when composing new Mixtures in the Import Data tab. Once you compose your mixture, click the preview button and scroll to the bottom to save your template. The use of mapping templates greatly improves the efficiency of importing entities, and this now includes importing new Mixtures.

    Molfile Option on Molecule Pop-Up

    When clicking on a structure (in the Search Results Table, Molecules Overview tab, etc), there is a new Molfile option to easily copy the chemical representation. Molfiles preserve all structural information and should be used whenever possible. Click any one of the formats to copy that string to your clipboard.

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