Chemistry | Pharmaceutical Sciences Highly Accurate and Explainable Predictions of Small-Molecule Antioxidants for Eight In Vitro Assays Simultaneously through an Alternating Multitask Learning Strategy. June 18, 2024
Bioinformatics | Computational Chemistry | Pharmacology Large-scale comparison of machine learning methods for profiling prediction of kinase inhibitors. January 30, 2024
Bioinformatics | Oncology | Pharmacology DeepCancerMap: A versatile deep learning platform for target- and cell-based anticancer drug discovery. April 28, 2023
Bioinformatics | Drug Development | Pharmacology DEEPCYPs: A deep learning platform for enhanced cytochrome P450 activity prediction. April 27, 2023
Chemistry | Drug Discovery | Pharmacology HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention. December 15, 2022
Bioinformatics | Chemistry | Pharmacology A multi-task FP-GNN framework enables accurate prediction of selective PARP inhibitors. October 29, 2022
Biology | Chemistry | Pharmacology FP-GNN: a versatile deep learning architecture for enhanced molecular property prediction. September 20, 2022
Oncology Machine Learning Enables Accurate and Rapid Prediction of Active Molecules Against Breast Cancer Cells. January 3, 2022