vignette/COVID19/scripts/README.md

These scripts were used to make chemoinformatic predictions for the set of proteomic targets identified to interact with SARS-CoV-2 proteins in (Gordon, et al., 2020).

It builds on the BioChemPantry R package (github.com/momeara/BioChempantry) which prepares biology and chemistry datasets into a Postgres database to facilitate merging using the R tidyverse framework.

Running the code

Using the BioChemPantry run the vignettes to setup the following datasets * hgnc_171217 * sea_chembl25 * guide_to_pharmacology_2020_03

From the directory containing raw_data/, intermediate_data/, scripts/, and product/ run the scripts in scripts/ sequentially.



momeara/BioChemPantry documentation built on Aug. 13, 2021, 9:46 p.m.