DeepCE is used for generating profiles for new chemicals in external molecular database

pth1993 / DeepCE

A deep learning framework for high-throughput mechanism-driven phenotype screening

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DeepCE is used for generating profiles for new chemicals in external molecular database #3

Open mengchengyao opened 2 years ago

mengchengyao commented 2 years ago

Thank you for your great tools, it helped me a lot. Now, I have a problem, How could I generating profiles(expression) for new chemicals from SMILES for new chemicals. Do you have any user guid or examples? Best wishes

wutong2002 commented 11 months ago

I think you can use openbabel or RDkit in python to transform SMILES to png pictures.