Collection scripts and workflows for data analysis on Cov-2 Frankfurt Screening on CaCo2 cells, described in Ellinger et al. Nature Communication (in review).
This repository is made available to all and contains R macro and KNIME workflow used within the article cited.
.RData file contains environment to run modelization in R script Knime knwf file allows comparison with molecular structures reported in Gordon et al. paper via simple fingerprint method (MACCS).