Closed tszslovewanpu closed 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
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
❤
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