how to incorporate/interface drug repurposing studies based on in silico screening?

[realmarcin]

Name and description of the dataset
In silico screening hit datasets

Dataset URL
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7314512/
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7503980/

Mapping or relevant fields

Chemical name, formula, synonyms, in silico energetics values etc used to rank the hits

Benefit

Would allow to embed additional candidate molecules for comparisons, similarity, path validation etc.

Additional context
Add any other context, requests, concerns.