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CDD Vault Update: Escape from the Dose-Response Thicket

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September 6, 2012

Before we introduce our next major feature release, here is a collection of small but helpful changes to CDD.

Escape from the Dose-Response Thicket

When a compound has been assayed many times, its dose-response plot can become an impenetrable thicket of curves. As of this release we only show the curves that match your search criteria. For example, if you specify that the IC50 must be < 10 μM or the curve class must be < 2, only those curves will be shown on the plot. You can always revert to showing all curves by choosing “All” for “Displayed readouts” in the display options.

Normalized_plot

Auto-populated Fields

When creating a new batch, we now pre-populate the batch person field with your full name and the date field with today’s date.

Dearomatized Structures

Structures are now presented in dearomatized form throughout the application. This includes the SMILES and CXSMILES shown on the molecule page, in searches, and in exports.

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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WE'RE ALWAYS HERE TO HELP!

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Know that CDD Support is here to help you reference CDD Vault in your talks, posters, or other presentations. Contact us if you want assistance with:

  1. Documenting algorithms used within CDD Vault;
  2. Creating screen shots;
  3. Proofreading slides; or
  4. Any other tasks.

Whatever you need, we're always ready to help!

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