BioinformaticsBMC BiologyPeer-reviewed
MaskMol: Knowledge-guided Molecular Image Pre-Training Framework for Activity Cliffs with Pixel Masking
Zhixiang Cheng, Hongxin Xiang, Pengsen Ma…·Xiangxiang Zeng
MaskMol improves molecular image representation for activity cliff detection and compound potency prediction, outperforming existing methods across 20 targets.
5 citations