KGG: Knowledge-Guided Graph Self-Supervised Learning to Enhance Molecular Property Predictions

Van-Thinh To, Phuoc-Chung van Nguyen, Gia-Bao Truong, Tuyet-Minh Phan, Tieu-Long Phan, Rolf Fagerberg, Peter F. Stadler, Tuyen Ngoc Truong. KGG: Knowledge-Guided Graph Self-Supervised Learning to Enhance Molecular Property Predictions. Journal of Chemical Information and Computer Sciences, 65(18):9443-9458, 2025. [doi]

@article{ToNTPPFST25,
  title = {KGG: Knowledge-Guided Graph Self-Supervised Learning to Enhance Molecular Property Predictions},
  author = {Van-Thinh To and Phuoc-Chung van Nguyen and Gia-Bao Truong and Tuyet-Minh Phan and Tieu-Long Phan and Rolf Fagerberg and Peter F. Stadler and Tuyen Ngoc Truong},
  year = {2025},
  doi = {10.1021/acs.jcim.5c01068},
  url = {https://doi.org/10.1021/acs.jcim.5c01068},
  researchr = {https://researchr.org/publication/ToNTPPFST25},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {65},
  number = {18},
  pages = {9443-9458},
}