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]

Authors

Van-Thinh To

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Phuoc-Chung van Nguyen

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Gia-Bao Truong

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Tuyet-Minh Phan

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Tieu-Long Phan

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Rolf Fagerberg

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Peter F. Stadler

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Tuyen Ngoc Truong

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