Samsung Electronics Co., Ltd.

Korea Advanced Institute of Science and Technology

Youyoung Song

Seungwoo Seo

Jinwoo Shin

Sungju Hwang

Eunho Yang

A method of training a retrosynthesis prediction model includes determining first attention information from first character string information of a product, based on first graph information of the product, encoding the first character string information, based on the determined first attention information, and determining second attention information from the first graph information and second graph information of a reactant. The method further includes decoding second character string information of the reactant, based on the determined second attention information, and training the retrosynthesis prediction model, based on the decoded second character string information.

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Suwon-si, South Korea

Youyoung Song