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The ChEMBL database in 2017
The ChEMBL database is a large collection of bioactive compounds and their biological activities. -
SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules
This dataset has no description
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Combating small molecule aggregation with machine learning
Biological screens are plagued by false positive hits resulting from aggregation. A bespoke machine-learning tool to confidently and intelligibly flag such entities is disclosed.
