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Assembling data sets for training ML bioactivity models

Molecular Design

However, the term 'QSAR' does appears to be less used these days, possibly reflecting the limited impact that QSAR approaches have made on real world drug discovery, and it's also much easier to persuade people that you're doing artificial intelligence (AI) if you describe your QSAR models as ML models.

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Positive Impact of Dragonfly™ Discovery in Biochemical Assay

Zobio

Biochemical assays are commonly used to assess how organic compounds impact the activity of a protein of interest (POI). Het bericht Positive Impact of Dragonfly™ Discovery in Biochemical Assay verscheen eerst op ZoBio - Drug Discovery Technology.

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Target-directed cancer: protein-ligand interactions  

Drug Target Review

Could you provide an overview of your research on target directed cancer drug discovery, particularly your focus on protein lagging interactions. How do structural biology and biochemical methods play a role in your world? We often screen using a biochemical assay, but we can conduct cell-based screening as well.

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Variability in biological activity measurements reported in the drug discovery literature

Molecular Design

In the Compatibility Issues section the authors state: Looking beyond laboratory-to-laboratory variability of assays that are nominally the same, there are numerous reasons why literature results for different assays measured against the same “target” may not be comparable.