FP-GNN: a versatile deep learning architecture for enhanced molecular property prediction - Cai, Hanxuan; Zhang, Huimin; Zhao, Duancheng; Wu, Jingxing; Wang, Ling (Briefings in bioinformatics, 2022)
Keywords: Algorithms; Deep Learning; Drug Discovery - methods; Machine Learning; Neural Networks, Computer; graph attention networks; molecular representation; machine learning; artificial intelligence; drug design and discovery