MoCL: Data-driven Molecular Fingerprint via Knowledge-aware Contrastive Learning from Molecular Graph

Mengying Sun, Jing Xing, Huijun Wang, Bin Chen, Jiayu Zhou. MoCL: Data-driven Molecular Fingerprint via Knowledge-aware Contrastive Learning from Molecular Graph. In Feida Zhu 0002, Beng Chin Ooi, Chunyan Miao, editors, KDD '21: The 27th ACM SIGKDD Conference on Knowledge Discovery and Data Mining, Virtual Event, Singapore, August 14-18, 2021. pages 3585-3594, ACM, 2021. [doi]

Abstract

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