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Introduction to Visualization

CDD Visualization is an extension to CDD Vault for calculations and graphing. CDD Visualization helps you to convert activity screening data into more useful results, and to visualize them for trends and decision making support. To sign up for CDD Visualization, please contact support@collaborativedrug.com.

Dynamic Visualization of Results

Analyze the data in your CDD Vault with CDD Visualization dynamic tools. You can plot data in a variety of formats to detect patterns and uncover new ideas. Graphic tools will enable you to fully explore the data data with zoom, filters, and point selection in real time. The tools include multi-dimensional scatter-plots, pie charts and histograms, and radar plots.

Get started with a Vision session

Create a scatter-plot

Filter and analyze

Save and export your session

Automated Calculations

CDD Vision introduces the ability to automatically process data according to custom calculations, defined by you. Mathematical functions are applied to experimental data and chemical properties. Calculations are defined as readouts withing protocols, and can include values from the same protocol, other protocols (available end of 2014), as well as calculated chemical properties from the CDD Vault. Some of the possible calculations include compound selectivity, ligand efficiency or binding efficiency, and aggregate data (average and median values).

To go to a specific section of the calculations training guide, use the following links.

Define calculated readouts within one protocol

Define calculated readouts between protocols

Predictive Modeling

Machine-learning algorithms and QSAR are useful tools that can be used to prioritize compounds for screening and to select vendor compounds for purchase, to name a couple applications. CDD Vision includes a machine learning module applied to structures stored in your CDD Vault. 

To go to a specific section of the modeling training guide, use the following links.

Build a Machine-Learning Model

 

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