no code implementations • 17 May 2023 • Wei Feng, Lvwei Wang, Zaiyun Lin, Yanhao Zhu, Han Wang, Jianqiang Dong, Rong Bai, Huting Wang, Jielong Zhou, Wei Peng, Bo Huang, Wenbiao Zhou
Generative models for molecules based on sequential line notation (e. g.
no code implementations • 20 Aug 2019 • Yibo Li, Jianxing Hu, Yanxing Wang, Jielong Zhou, Liangren Zhang, Zhenming Liu
Furthermore, the generated compounds were evaluated by molecular docking in DRD2 targets and the results demonstrated that this approach can be effectively applied to solve several drug design problems, including the generation of compounds containing a given scaffold and de novo drug design of potential drug candidates with specific docking scores.