LOGICS: Learning optimal generative distribution for designing de novo chemical structures.

Autor: Bae, Bongsung¹ (AUTHOR), Bae, Haelee² (AUTHOR), Nam, Hojung^1,2,3 (AUTHOR) hjnam@gist.ac.kr

Publikováno v: Journal of Cheminformatics. 9/7/2023, Vol. 15 Issue 1, p1-18. 18p.

GraphATT-DTA: Attention-Based Novel Representation of Interaction to Predict Drug-Target Binding Affinity.

Autor: Bae H; AI Graduate School, Gwangju Institute of Science and Technology, 123 Cheomdangwagi-ro, Buk-gu, Gwangju 61005, Republic of Korea., Nam H; AI Graduate School, Gwangju Institute of Science and Technology, 123 Cheomdangwagi-ro, Buk-gu, Gwangju 61005, Republic of Korea.; School of Electrical Engineering and Computer Science, Gwangju Institute of Science and Technology, 123 Cheomdangwagi-ro, Buk-gu, Gwangju 61005, Republic of Korea.; Center for AI-Applied High Efficiency Drug Discovery (AHEDD), Gwangju Institute of Science and Technology, 123 Cheomdangwagi-ro, Buk-gu, Gwangju 61005, Republic of Korea.

Publikováno v: Biomedicines [Biomedicines] 2022 Dec 27; Vol. 11 (1). Date of Electronic Publication: 2022 Dec 27.