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Small molecule autoencoders: architecture engineering to optimize latent space utility and sustainability.
Marie Oestreich
Iva Ewert
Matthias Becker
Published in:
J. Cheminformatics (2024)
Keyphrases
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latent space
latent variables
dimensionality reduction
generative model
feature space
distance metric
parameter space
manifold learning
lower dimensional
data sets
denoising
gaussian process latent variable models