Combating small-molecule aggregation with machine learning
Summary: Biological screens are plagued by false-positive hits resulting from aggregation. Methods to triage small colloidally aggregating molecules (SCAMs) are in high demand. Herein, we disclose a neural network to flag such entities. Our data demonstrate the utility of machine learning for predic...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2021-09-01
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| Series: | Cell Reports Physical Science |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2666386421002885 |