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how to incorporate/interface drug repurposing studies based on in silico screening? #366
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realmarcin opened 4 years ago
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.