ADMET Predictor® User Manual

Modeling Protocol

Modeling Protocol

  1. In the second window click on Settings ... in Test Set Selection area.

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  1. Familiarize yourself with the options, then accept all defaults and click OK.

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  1. Click on Settings... in Descriptor Selection area, change Minimum representation to 5 and select Input gradient in Sensitivity Analysis. Click OK.

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  1. You should see the changes on the main window:

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  1. Click Next.