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ReBADD-SE: Multi-objective molecular optimisation using SELFIES fragment and off-policy self-critical sequence training.
Choi, Jonghwan; Seo, Sangmin; Choi, Seungyeon; Piao, Shengmin; Park, Chihyun; Ryu, Sung Jin; Kim, Byung Ju; Park, Sanghyun.
Afiliación
  • Choi J; Department of Computer Science, Yonsei University, Yonsei-ro 50, Seodaemun-gu, 03722, Seoul, Republic of Korea; UBLBio Corporation, Yeongtong-ro 237, Suwon, 16679, Gyeonggi-do, Republic of Korea. Electronic address: mathcombio@yonsei.ac.kr.
  • Seo S; Department of Computer Science, Yonsei University, Yonsei-ro 50, Seodaemun-gu, 03722, Seoul, Republic of Korea; UBLBio Corporation, Yeongtong-ro 237, Suwon, 16679, Gyeonggi-do, Republic of Korea.
  • Choi S; Department of Computer Science, Yonsei University, Yonsei-ro 50, Seodaemun-gu, 03722, Seoul, Republic of Korea.
  • Piao S; Department of Computer Science, Yonsei University, Yonsei-ro 50, Seodaemun-gu, 03722, Seoul, Republic of Korea.
  • Park C; Department of Computer Science and Engineering, Kangwon National University, Chuncheon-si, 24341, Kangwon-do, Republic of Korea; UBLBio Corporation, Yeongtong-ro 237, Suwon, 16679, Gyeonggi-do, Republic of Korea.
  • Ryu SJ; UBLBio Corporation, Yeongtong-ro 237, Suwon, 16679, Gyeonggi-do, Republic of Korea.
  • Kim BJ; UBLBio Corporation, Yeongtong-ro 237, Suwon, 16679, Gyeonggi-do, Republic of Korea.
  • Park S; Department of Computer Science, Yonsei University, Yonsei-ro 50, Seodaemun-gu, 03722, Seoul, Republic of Korea. Electronic address: sanghyun@yonsei.ac.kr.
Comput Biol Med ; 157: 106721, 2023 05.
Article en En | MEDLINE | ID: mdl-36913852

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Diseño de Fármacos / Antineoplásicos Idioma: En Revista: Comput Biol Med Año: 2023 Tipo del documento: Article

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Diseño de Fármacos / Antineoplásicos Idioma: En Revista: Comput Biol Med Año: 2023 Tipo del documento: Article