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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.

Data and Resources

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

DOI retrieved: December 3, 2024

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