Generation of molecular conformations using generative adversarial neural networks
A deep learning model based on conditional generative adversarial networks and molecular motif graphs is proposed for efficient molecular conformation generation.
Authors
- Peiyuan Yu (ORCID: https://orcid.org/0000-0002-4367-6866)
- Congsheng Xu
- Xiaomei Deng (ORCID: https://orcid.org/0000-0002-6462-6403)
- Yi Lu (ORCID: https://orcid.org/0000-0002-6664-2095)
Institutions
- Harbin Institute of Technology (CN)
- Southern University of Science and Technology (CN)
Publication Details
- Journal
- Digital Discovery
- Published
- 2024-11-19
- DOI
- https://doi.org/10.1039/d4dd00179f
- Citations
- 5
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 1.81
Funders
- Southern University of Science and Technology