151 citations · 241 across the 12 of their papers we have counts for
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cs.LG2018★ 1 cited
Molecular generative model based on conditional variational autoencoder for de novo molecular design
Jaechang Lim, Seongok Ryu, Jin Woo Kim +1
We propose a molecular generative model based on the conditional variational autoencoder for de novo molecular design. It is specialized to control multiple molecular properties si…
cs.LG2018★ 79 cited
Deeply learning molecular structure-property relationships using attention- and gate-augmented graph convolutional network
Seongok Ryu, Jaechang Lim, Seung Hwan Hong +1
Molecular structure-property relationships are key to molecular engineering for materials and drug discovery. The rise of deep learning offers a new viable solution to elucidate th…