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    September 28, 2023

    CDD Vault Update (September 2023): Fun with Ketcher, ELN Formatting, and Batch-specific Mixture Components

    Fun with Ketcher

    New keyboard shortcuts have been added to the structure editor. Cycle through menu options and easily lookup abbreviations while still being able to assign the same atom to multiple locations.

    • Select an Atom
      • Press the atom labels to select an atom from the right side list
      • Press “c” for carbon, “n” for nitrogen, “f” for fluorine, etc
    • Change the Bond tool
      • Pressing the “1” key multiple times (repetitive keystroke) cycles through the available single bond types (like up, down, etc)
      • Pressing the “2” key multiple times cycles through the available double bond types
      • Pressing the “3” key changes the bond tool to a triple bond
    • Select a Template
      • Pressing the “t” key multiple times (repetitive keystroke) cycles through the available templates from the bottom of the Ketcher window

    image2

    Pressing the “1” Key to Choose Single Bond Types

    Helpful Hint: The Ketcher Structure Editor supports many keyboard Hotkeys. Check out their documentation to see a full list.

    ELN Clear & Copy Formatting

    When working in the ELN canvas, users now have options to clear formatting and copy formatting.

    Highlight some text and click the Additional Tools > Clear formatting button, any formatting (color, bold, etc) will be removed.image4

    If you place your cursor or highlight a portion of formatted text and choose the Copy Formatting button, the same formatting features can then be applied to other text in the ELN.

    image1

    Batch-Level Mixture Differences are Highlighted

    Following on the recent ability to customize your definition of uniqueness when registering Mixtures, you can now see how individual Batches differ from one another in the Batch Show Page. Since multiple Batches can be registered for a given parent-level Mixture (e.g. based on Component Names), it’s essential to see how the individual components of each Batch may differ (for example, Batch 1 has a given ratio while Batch 2 has a different ratio of components).

    image3

     

    This blog is authored by members of the CDD Vault community. CDD Vault is a hosted drug discovery informatics platform that securely manages both private and external biological and chemical data. It provides core functionality including chemical registrationdata visualization, inventory, and electronic lab notebook capabilities.

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