How can i interpret this QSAR graph (pEC50, training set and test test) ?

28 September 2023 1 6K Report

Hello everyone,

I use ChemMaster for QSAR modelling. Firstly, i calculated pEC50 and finded Molecular Weight, rotatable bonds, LogP. Then, with Kennard- Stone Algorithm i divided the datasets into training and testing tests. I used pEC50 value as Y variable and as X variable i use Mw, rotatable b., logP. For the graph, how can i interpret ?

Andres Halabi

In order to interpret a QSAR models you need some clarity on what the underlying chemical processes you are trying to study work. Can you give us more context/info? What type of molecules are you working with? What known reactivity do they have?

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