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]

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