How can I perform validation with the created model?

[sujinK12]

We created a pharmacophore model using the gen_pharma branch. I would like to use the generated model as a classifier to classify active and inactive using test data rather than training data, or obtain a score using probability values, but I do not know how to use the testset in the provided code. The provided code appears to check active/inactive or provide a score for the learned data. Did I understand it correctly?

[DrrDom]

You have to generate a DB with conformers of your molecules and apply screen_db ( utility provided with the module). Examples are provided in README. For example: screen_db -d DB.dat -q model.pma -o results/ -c 4 -v It can take as a query a single pharmacophore, multiple pharmacophores or a directory with multiple pharmacophores