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Activity Cliff-Informed Contrastive Learning for Molecular Property Prediction

Wan Xiang Shen,Chao Cui, Xiaorui Su,Zaixi Zhang, Alejandro Velez-Arce, Jianming Wang,Xiangcheng Shi, Yanbing Zhang,Jie Wu,Yu Zong Chen,Marinka Zitnik

Research square(2024)

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