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Add metabolite analysis #37

Merged
merged 8 commits into from
Jul 16, 2024
Merged

Add metabolite analysis #37

merged 8 commits into from
Jul 16, 2024

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AlrauneZ
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Adding name handling for metabolite analysis. Adapt data handling and testing. Correct bug in NA screening on toluene properties. Add activity plot to visualize.

Solves issue #36.

@AlrauneZ AlrauneZ added bug Something isn't working enhancement New feature or request labels Jul 15, 2024
@AlrauneZ AlrauneZ self-assigned this Jul 15, 2024
@AlrauneZ AlrauneZ linked an issue Jul 15, 2024 that may be closed by this pull request
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sonarcloud bot commented Jul 16, 2024

@AlrauneZ AlrauneZ merged commit 32ef0da into main Jul 16, 2024
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Add metabolite analysis
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