Chemistry | Materials Science | Predictive Modeling Enhancing chemistry-intuitive feature learning to improve prediction performance of optical properties. October 9, 2024
Bioinformatics | Chemoinformatics | Drug Discovery | Pharmacology GR-pKa: a message-passing neural network with retention mechanism for pKa prediction. August 22, 2024
Artificial Intelligence | Bioinformatics | Drug Discovery | Pharmacology Drug-target binding affinity prediction using message passing neural network and self supervised learning. September 20, 2023
Computational Chemistry Flexible Dual-Branched Message-Passing Neural Network for a Molecular Property Prediction. February 14, 2022