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about DeepTox #6

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hmf0103 opened this issue Aug 28, 2018 · 1 comment
Open

about DeepTox #6

hmf0103 opened this issue Aug 28, 2018 · 1 comment

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@hmf0103
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hmf0103 commented Aug 28, 2018

Hi, very interesting tool. :)
I saw your group did tox21 using a Deeptox tool. Do you know where to get the tool?

@untom
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untom commented Aug 29, 2018

DeepTox was done using binet, as well as other libraries (e.g. rdkit and scikit-learn). However, it also involved a lot of manual steps (outlined in the paper), so we never released the pipeline.

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