BioAssay Express: models mixing assays & compounds — Cheminformatics 2.0

The latest experimental feature of the BioAssay Express project involves taking all of the curated assays (3500 so far) and their corresponding compounds from PubChem (hundreds of thousands of unique structures) and feeding them all into one giant Bayesian model. Rather than the usual approach of modelling compound ⟹ activity separately for each assay, this approach takes advantage […]

via BioAssay Express: models mixing assays & compounds — Cheminformatics 2.0

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