December 5, 2024
Inventory Link in Search Reports:
As mentioned in a previous release, a summary of sample inventory information can be shown in a search report table on the Explore Data tab to quickly see a snapshot of the remaining samples and total amounts. Summaries are available at the molecule and batch levels. To display the field, click “Customize your report” and select “Inventory Summary” from the list of Molecule and Batch Fields. The count now displays as a link to the Inventory tab where the specific list of samples are displayed.
Fit Linear Equation:
We are excited to announce a new round of features associated with our Curves Add-on. If you are not yet subscribed to Curves, please contact your CDD Vault account manager or the CDD Vault Support Team to discuss enabling these features in your Vault.
Vault Administrators can enable the ‘Linear Equation’ by navigating to the Settings > Vault > Plots subtab. Once the curve fit type is enabled, the Linear Equation can be used in the ‘Plot’ readout definition in a protocol instead of the standard Hill Equation. CDD Vault will automatically calculate the following parameters from the data imported using the Linear Equation:
- Area under the curve
- Maximum measured
- Minimum measured
- N
- R squared
- Slope
- Y-Intercept
Overlay Curves with a List of IDs:
Overlay curves from multiple molecules by typing or pasting a list of IDs in the search bar. IDs can be separated by a space, comma, semicolon or line break (column in Excel).
Select Fragments for Bioisosteric Suggestions:
CDD Vault’s previously released AI features include the option to generate compound suggestions with bioisosteric functional group replacements. After loading a list of results, use the settings icon to enable the ‘Experimental Features’. Hide specific fragment replacement suggestions by deselecting molecules at the top of the window. Only selected molecules will show the list of fragment replacement suggestions.
If you do not have the AI Add-on enabled in your vault, please contact your account manager or the CDD Vault Support Team to discuss enabling these features.
For assistance, questions, or to schedule a demo, please contact support@collaborativedrug.com.