VIANA: character Value-enhanced Intensity Assessment via domain-informed Neural Architecture
This study addresses the challenging problem of predicting the perceived intensity of odorant molecules by proposing a tripartite modeling framework that integrates molecular structure, olfactory semantics, and dose–response biological principles. The approach uniquely combines graph convolutional networks (GCNs) for molecular topology, semantic embeddings derived from the primary odor map (POM), and the Hill equation to model nonlinear response dynamics. To mitigate information redundancy in multi-source knowledge transfer, the authors introduce a PCA-based semantic signal distillation strategy. Evaluated on a test set, the model achieves exceptional performance with an R² of 0.996 and an MSE of 0.19, substantially outperforming existing baselines. It accurately captures key perceptual characteristics—including saturation ceilings, detection thresholds, and distinctive odor representations—thereby effectively bridging the gap between molecular structure and human olfactory perception.