How can I see the relation between the parameters-dependent variable and pIC50-independent variablee

annata
annata Altair Community Member

Hi everyone!

I'm working on a project about designing a model (QSAR - model) using Deep learning and in the "Deep learning" report i dont see the relation between the parameters and PIC50. Please help me

Thank you.

Answers

  • Garima_Singh
    Garima_Singh
    Altair Employee

    Hi @annata,

    Kindly let us know which product is being used for creating the Deep Learning model.

    The detail is required to direct the query to the required support team.

    Many thanks.

    Kind Regards

    Garima Singh

  • annata
    annata Altair Community Member
    edited January 11

    Hi Garima_Singh

    Thank you for relplying my post, I'm using rapidminer 9.10 for creating Deep learning model

  • Garima_Singh
    Garima_Singh
    Altair Employee

    Hi @annata,

    Thank you for the response.

    Hi @RolandJones, kindly support the user on the Rapidminer query.

    Kind Regards

    Garima Singh

  • RolandJones
    RolandJones
    Altair Employee

    Hi @annata

    Thank you for your query, it sounds like an interesting use case! Just to confirm, you're predicting the PIC50 values using a Deep Learning model, and you'd like to extract more details on the relationship between the input variables and the predicted values?

    Best,

    Roland

  • annata
    annata Altair Community Member
    edited January 10

    Hi RolandJones

    Yes, that's exactly what I meant.

    Many thanks

    Thuy an

  • RolandJones
    RolandJones
    Altair Employee

    Hi @annata,

    Given you are predicting a numerical value, I think the Interpretation extension might be a good option here. For example, you can use the "Generate Interpretation" operator to assess the global weights of the model, as well as the absolute local weights.

    Please let me know if you need any help implementing this.

    Best,

    Roland

  • annata
    annata Altair Community Member

    Hi @RolandJones

    When installing "Interpretation" extension, I get this error. Do you know how to solve it?

    Thanks,

    Thuy An

  • RolandJones
    RolandJones
    Altair Employee
    edited January 10

    Could you please share the rapidminer-studio.log file to help diagnose the issue? On Windows, it can be found in %USERPROFILE%\.RapidMiner\rapidminer-studio.log

    Thanks,

    Roland

  • annata
    annata Altair Community Member

    Hi @RolandJones

    Is it the file you need ?

    Many thanks,

    Thuy An

  • RolandJones
    RolandJones
    Altair Employee

    Hi Thuy an,

    Thank you, yes this is what I needed. My apologies, it appears that v0.8.0 of the extension is incompatible with your version of RapidMiner (now AI) Studio - I will raise this with development. You will need to install version v0.7.1 of the extension manually. To do this, please go to https://marketplace.rapidminer.com/UpdateServer/faces/download.xhtml?productId=rmx_interpretation&platform=ANY&version=0.7.1. to download the .jar file. You will then need to place this is in the %USERPROFILE%\.RapidMiner\extensions folder and restart the program. The extension should now work.

    Best,

    Roland

  • annata
    annata Altair Community Member
    edited January 11

    Hi @RolandJones

    It's very kind of you to help me.

    Best,

    Thuy An

  • RolandJones
    RolandJones
    Altair Employee

    Hi @annata

    You're most welcome, if there's anything else that comes up I would be glad to help.

    Best,

    Roland

  • annata
    annata Altair Community Member

    Hi @RolandJones

    There is one more problem I hope you can show me how to deal with. Well, as you know, I'm creating a deeplearning model and I wonder that how can I save the Deeplearning model?.

    To make it more clear, the purpose of my study is about predicting bioactivity of a compound. So, I need a model to predict bioactivity of a data that including compounds.

    Like you know, in DL we'll get different results on different runs and I just want to save the best model giving the best result.

    I don't know how to save the model, just know how to save the process that generate the model.

    Best,

    Thuy An

  • RolandJones
    RolandJones
    Altair Employee

    Hi Thuy An,

    You can add a "Store" operator and connect the model to store the model in the repository for use later.

    Best,

    Roland

  • annata
    annata Altair Community Member

    Hi @RolandJones

    You've helped so much. I'm so gratefull <3

    Thanks,

    Thuy An