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Journal: PharmaceuticalsVolume: 14Number: 758
Article: Should We Embed in Chemistry? A Comparison of Unsupervised Transfer Learning with PCA, UMAP, and VAE on Molecular Fingerprints
- Authors:
- Mario Lovrić1,2,
- Tomislav Đuričić1,3 and
- Han T. N. Tran1
- et al.
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