As an emerging technology in the field of artificial intelligence (AI), graph neural networks (GNNs) are deep learning models designed to process graph-structured data. Currently, GNNs are effective ...

Researchers present a comprehensive review of frontier AI applications in computational structural analysis from 2020 to 2025, focusing on graph neural networks (GNNs), sequence-to-sequence (Seq2Seq) ...

The multiple condition (MC)-retention model is an uncertainty-aware graph-based neural network that predicts liquid chromatography (LC) retention times across multiple column chem ...