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CDD Vault Update: Only Display Matching Readouts

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April 22, 2011

Too many data point in the search table causing you to go cross-eyed? In this release search results are more precise and compact.

Only Display Matching Readouts

Now we display only the readouts that match your search criteria. For example, you have tested a molecule several times, but the activity was high in only one experiment. When you search your data for hits, now you will only see the high activity readouts. Previously we showed you all readouts for a given molecule, regardless of your search criteria (matching readouts were shown in bold). This gave you a holistic picture of how that compound was behaving in assays, but made the interesting result difficult to see. You can switch back to this complete view by going to display options and choosing “All readouts.”

Keeping Readouts Connected

Searching combinations of readouts from one protocol now considers how the readouts were connected when you imported the data. For example, imagine you are screening a library of compounds for activity against 100 yeast strains. You set up your protocol to import activity data and strain name in pairs (“Activity” readout, and “Strain” readout). When you search for hits against a particular strain, CDD now returns only the subset of compounds that match both the activity threshold and the strain name in a connected pair of readouts. Previously, this search ignored the fact that you had imported the data in pairs, and thus it would return compounds that were a hit against any strain, because those compounds satisfied both criteria when looking at individual readouts.

Smaller improvements:

  • We’ve reformatted the search results table so there is less whitespace when you are viewing results at the “Run/batch” or “Details” level
  • The warning message “No preferred ‘Molecule Name or Synonym’ provided for this molecule, using the first available one” is now just a detail, allowing you to focus on more important content within the QC Report.
  • New molecules (and the line number they came from) can now be found in the details section of the QC Report.
  • Download your exports even after your session has timed out: once you start an export, it continues running on the server even if the status bar disappears, so there’s no need to launch it again. Instead, please contact supportand we’ll provide you with a link to download your file.

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 registrationstructure activity relationshipchemical inventory, and electronic lab notebook capabilities.

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