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CDD Vision Update: Calculations with Protocol Conditions

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December 13, 2014

The full power of protocol conditions is realized with this release by incorporating conditions into CDD Vision calculations. This means your data entry and management is simplified, with fewer protocols, and data processing and analysis is flexible and powerful using conditions.

CDD Vault calculations such as IC50 and average will only aggregate measurements that were made under the same conditions. We have extended the use of protocol conditions to CDD Vision calculations, so that you can specify conditions in your custom formulas.

For example:  you perform a CRC (concentration-response curve) assay on two targets, looking for a selective drug. You record your results in a single CDD Vault protocol using a target condition like this:

protocol_condition

You want to know the average IC50 for each target, as well as the Selectivity Index. You can create a calculated readout definition using the target conditions, IC50<target #1> to be divided by IC50<target #2>, like this:

selectivity_index

To specify a condition in a calculation,  use chevrons < > following the readout definition:

[Protocol Name -> Readout Definition] <[condition] = "value">

If you have multiple conditions you need to specify, enter a value for each:

[Protocol Name -> Readout Definition] <[condition A] = "value", [condition B] = "value">

The calculation will use readouts that match the values specified for both condition A  and condition B.

Here are primers on using conditions and setting up calculations. Contact us if you’d like an in-depth tutorial on applying these features to your data.

 

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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