arXiv (Cornell University)
Molecular Odor Prediction Based on Multi-Feature Graph Attention Networks
February 2025 • Huidong Xie, Jiande Sun, Yi Shao, Shuai Li, Sujuan Hou, Yan Sun, Jian Wang
Olfactory perception plays a critical role in both human and organismal interactions, yet understanding of its underlying mechanisms and influencing factors remain insufficient. Molecular structures influence odor perception through intricate biochemical interactions, and accurately quantifying structure-odor relationships presents significant challenges. The Quantitative Structure-Odor Relationship (QSOR) task, which involves predicting the associations between molecular structures and their corresponding odors, …