You Young Song — accepted AI-conference papers

2021

GTA: Graph Truncated Attention for Retrosynthesis

Seung-Woo Seo, You Young Song, June Yong Yang, Seohui Bae, Hankook Lee, Jinwoo Shin +2

AAAI 2021technical

Retrosynthesis is the task of predicting reactant molecules from a given product molecule and is, important in organic chemistry because the identification of a synthetic path is as demanding as the discovery of new chemical compounds. Recently, the retrosynthesis task has been solved automatically…

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2021

RetCL: A Selection-based Approach for Retrosynthesis via Contrastive Learning

Hankook Lee, Sungsoo Ahn, Seung-Woo Seo, You Young Song, Eunho Yang, Sung Ju Hwang +1

IJCAI 2021poster

Retrosynthesis, of which the goal is to find a set of reactants for synthesizing a target product, is an emerging research area of deep learning. While the existing approaches have shown promising results, they currently lack the ability to consider availability (e.g., stability or purchasability) o…

Cited by 23 Source ↗PDF ↗Scholar ↗