This repository contains resources and code to run the pipeline as described in our article.
The pipeline only accepts a (Pandas) dataframe with the following requirements/format:
| sample_ID | compound | sample_amt | peak_area | creatinine_mmol_liter | age_in_years |
|---|---|---|---|---|---|
| Sample_1 | 904_α-mann | 25 | 15000 | 1.5 | 2.2 |
| .. | .. | .. | .. | .. | .. |
| Sample_n | 1071_GM1 | 35 | 25000 | 2.1 | 10.1 |
where sample_amt is the semi-quantitative concentration of the compound, and peak_area is the area under the chromatographic peak.
A test notebook can be found in this repository on how to use the pipeline (see Pipeline_test.ipynb)