How to find out the statistics and training set data for a MolScreen model?

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Andrew Orry

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Apr 12, 2023, 1:09:22 PM4/12/23
to MolSoft ICM Knowledge Base
Q. How to find out the statistics and training set for a MolScreen model?
A.

All the statistics and chemicals used for training are embedded in the
model.


1. Check the model(s) you are interested in -

2. Click on the Check Selected Model Performance button

and you will see the Q2 RMSE statisitics

Or to see the chemicals/structures used in the model

Click on unpack selected model objects
Double click to load chemicals

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