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CDD Vault Update: Dose-Response Improvements Part I: Consistency!

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May 12, 2011

The calculation of dose-response data is now consistent throughout CDD. Previously we would calculate one EC50 for each row of data, but on the plot we would aggregate all the data by batch/run and perform a separate calculation.

Now, all dose-response calculations are performed using the aggregate data from each batch/run, so the numbers in the search result table are identical to those in the plot pop-up. Additionally, the baseline and maximum response, R-squared, N and Hill slope are now included in the display options so their values can be viewed and exported.

Aside from these visible changes, a ton of work was done on the back-end to prepare for the next round of dose-response improvements. Stay tuned…

In the area of smaller improvements: You can now import SD files that contain multiple values for a given field. The field must be mapped to molecule names or synonyms, user-defined fields or text-based readout definitions.

 

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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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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