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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.

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Cite this as

Kuan Lee, Ann Yang, Yen-Chu Lin, Daniel Reker, Gonçalo J. L. Bernardes, Tiago Rodrigues (2024). Dataset: Combating small molecule aggregation with machine learning. https://doi.org/10.57702/yvj9mu5b

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Additional Info

Field	Value
Created	December 3, 2024
Last update	December 3, 2024
Defined In	https://doi.org/10.48550/arXiv.2105.00267
Author	Kuan Lee
More Authors	Ann Yang Yen-Chu Lin Daniel Reker Gonçalo J. L. Bernardes Tiago Rodrigues
Homepage	https://doi.org/10.1038/s41386-020-00741-8