Pre-training with Fractional Denoising to Enhance Molecular Property Prediction

Deep learning methods have been considered promising for accelerating molecular screening in drug discovery and material design. Due to the limited availability of labelled data, various self-supervised molecular pre-training methods have been presented. While many existing methods utilize common pr...

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Hauptverfasser:	Ni, Yuyan, Feng, Shikun, Hong, Xin, Sun, Yuancheng, Ma, Wei-Ying, Ma, Zhi-Ming, Ye, Qiwei, Lan, Yanyan
Format:	Artikel
Sprache:	eng
Schlagworte:	Computer Science - Artificial Intelligence Computer Science - Learning Physics - Chemical Physics
Online-Zugang:	Volltext bestellen
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