LindeSchoenmaker

Step 1: inputs

Exercise 1

(In a separate window) open qsprpred.cloud.vhp4safety.nl

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To anwer the following questions use the thyroid hormone alpha (TRalpha) model. Tip: for more detail on the model, use the QMRF document

Q 1.1 What property does this model predict and how is this value derived?

Q 1.2 What algorithm is the QSAR model based on?

Q 1.3 What is the performance of this model on an external validation set?

Exercise 2

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Next you want to enter the following molecules; Liothyronine and Rotenone

Q 2 What are the SMILES of these molecules? (tip: use PubChem or Wikipedia for looking up the molecules)

Enter the molecules and click run. Now go to the next exercises about result interpretation.

Or go back to the overview.