Exploring Dimensionality Reduction Techniques for Deep Learning Driven QSAR Models of Mutagenicity
Dimensionality reduction techniques are crucial for enabling deep learning driven quantitative structure-activity relationship (QSAR) models to navigate higher dimensional toxicological spaces, however the use of specific techniques is often arbitrary and poorly explored. Six dimensionality techniqu...
| Main Authors: | Alexander D. Kalian, Emilio Benfenati, Olivia J. Osborne, David Gott, Claire Potter, Jean-Lou C. M. Dorne, Miao Guo, Christer Hogstrand |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-06-01
|
| Series: | Toxics |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2305-6304/11/7/572 |
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