De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping

Boris Sattarov, Igor I. Baskin, Dragos Horvath, Gilles Marcou, Esben Jannik Bjerrum, Alexandre Varnek. De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping. Journal of Chemical Information and Computer Sciences, 59(3):1182-1196, 2019. [doi]

Authors

Boris Sattarov

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Igor I. Baskin

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Dragos Horvath

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Gilles Marcou

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Esben Jannik Bjerrum

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Alexandre Varnek

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