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20172022
most citedSMILES Enumeration as Data Augmentation for Neural Network Modeling of Molecules

315 citations · 721 across the 6 of their papers we have counts for

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Showing 2018Show all

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cs.LG2018★ 200 cited

Improving Chemical Autoencoder Latent Space and Molecular De novo Generation Diversity with Heteroencoders

Esben Jannik Bjerrum, Boris Sattarov

Chemical autoencoders are attractive models as they combine chemical space navigation with possibilities for de-novo molecule generation in areas of interest. This enables them to…