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

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mengchengyao opened this issue Jan 20, 2022 · 1 comment
Open

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

mengchengyao opened this issue Jan 20, 2022 · 1 comment

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

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@mengchengyao @wutong2002