Biomedical Engineering | Machine Learning | Neurology Combining data augmentation and deep learning for improved epilepsy detection. April 18, 2024
Chemical Engineering | Pharmaceutical Sciences Enhancing Generic Reaction Yield Prediction through Reaction Condition-Based Contrastive Learning. January 12, 2024
Other Generic Interpretable Reaction Condition Predictions with Open Reaction Condition Datasets and Unsupervised Learning of Reaction Center. October 18, 2023
Artificial Intelligence | Biomedical | Natural Language Processing An Extensive Benchmark Study on Biomedical Text Generation and Mining with ChatGPT. September 8, 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
Bioinformatics | Drug Discovery | Pharmacology The recent progress of deep-learning-based in silico prediction of drug combination. May 26, 2023
Medicinal Chemistry | Pharmacology Application of deep generative model for design of Pyrrolo[2,3-d] pyrimidine derivatives as new selective TANK binding kinase 1 (TBK1) inhibitors. January 5, 2023
Drug Discovery | Pharmacology DRlinker: Deep Reinforcement Learning for Optimization in Fragment Linking Design. November 21, 2022
Chemistry | Pharmaceutical Sciences Molecule Design Using Molecular Generative Models Constrained by Ligand-Protein Interactions. August 8, 2022
Chemistry | Pharmaceutical Sciences Prediction of Compound Synthesis Accessibility Based on Reaction Knowledge Graph. February 15, 2022
Medicinal Chemistry | Pharmaceutical Sciences Deep scaffold hopping with multimodal transformer neural networks. November 14, 2021
Medicinal Chemistry | Pharmacology Kinase Inhibitor Scaffold Hopping with Deep Learning Approaches. September 29, 2021