Chemoinformatics | Computational Biology | Pharmacology Calibrated geometric deep learning improves kinase-drug binding predictions. July 4, 2024
Bioinformatics | Chemoinformatics | Computational Chemistry MolPROP: Molecular Property prediction with multimodal language and graph fusion. May 22, 2024
Bioinformatics | Pharmacology | Toxicology Deep-PK: deep learning for small molecule pharmacokinetic and toxicity prediction. April 18, 2024
Chemistry Molecular Geometry Impact on Deep Learning Predictions of Inverted Singlet-Triplet Gaps. March 14, 2024
Particle Physics | Quantum Physics GNN for Deep Full Event Interpretation and Hierarchical Reconstruction of Heavy-Hadron Decays in Proton-Proton Collisions. November 29, 2023
Computer Science | Data Science MECCH: Metapath Context Convolution-based Heterogeneous Graph Neural Networks. November 24, 2023
Bioinformatics | Chemistry | Pharmacology Graph neural networks for the identification of novel inhibitors of a small RNA. October 15, 2023
Artificial Intelligence | Chemical Synthesis | Chemoinformatics A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation data. August 11, 2023
Artificial Intelligence | Fault Diagnosis | Signal Processing Explainable Graph Wavelet Denoising Network for Intelligent Fault Diagnosis. April 4, 2023
Other Predicting molecular properties based on the interpretable graph neural network with multistep focus mechanism. December 16, 2022
Chemistry | Machine Learning | Materials Science Accurate Prediction of Voltage of Battery Electrode Materials Using Attention-Based Graph Neural Networks. June 6, 2022