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I'm reading on the internet about QSAR models and I don't really understand what they are. I see some webs in which some data mining techniques like random forest, CART, etc., are mentioned. What are QSAR models? Is it a specific technique to create a dataset and has nothing to do with classification/regression models, o is a type of models that are created from the data? In addition to your answer, could you post a website or article where this is clearly explained? Thanks in advance.

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    $\begingroup$ Does en.wikipedia.org/wiki/… help at all? $\endgroup$
    – Henry
    Sep 4, 2022 at 22:22
  • $\begingroup$ I understand that the only characteristic of "QSAR models" is that the input and output variables of the data are chemical/biological? Should it be called "qsar data" instead of "qsar models"? Any known classification/regression model could be applied to this qsar data. $\endgroup$
    – dreamco9
    Sep 5, 2022 at 1:38

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Maybe a little late to the party.

Based on your comments, it sounds to me that you are more stuck on the term model rather than the QSAR.

A model is not specified by the algorithm that is used to build the model rather a scientific model aims to abstract/explain some natural process or system.

Scientific modelling is a scientific activity, the aim of which is to make a particular part or feature of the world easier to understand, define, quantify, visualize, or simulate by referencing it to existing and usually commonly accepted knowledge.

Source: Wikipedia

A QSAR model aims to elucidate the relationship between the structure of the molecule and the activity of a given protein. But the algorithm used to build that QSAR model can be anything.

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