About the Substructure-constrained logP Extremization task

Rose-STL-Lab / LIMO

generative model for drug discovery

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About the Substructure-constrained logP Extremization task #22

Closed tszslovewanpu closed 5 months ago

tszslovewanpu commented 5 months ago

Dear Peter,

I'm back again. Could you please send me the two molecules (SMILES or SELFIES) and the selected substructure for TASK 4.5: Substructure-constrained logP Extremization? Thank you!

Best regards, Fan

PeterEckmann1 commented 5 months ago

Hi Fan, sure, you can find the SMILES here along with the associated substructures: https://github.com/Rose-STL-Lab/LIMO/issues/9#issuecomment-1402727348

tszslovewanpu commented 5 months ago

❤