Bioinformatics | Computational Biology | Pharmacology Versatile Framework for Drug-Target Interaction Prediction by Considering Domain-Specific Features. July 8, 2024
Computational Biology | Drug Discovery Evaluation of AlphaFold2 Structures for Hit Identification across Multiple Scenarios. April 17, 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
Drug Discovery | Pharmacology Artificial intelligence methods in kinase target profiling: advances and challenges. October 7, 2023
Drug Development | Patient Safety | Pharmacology HF-DDI: Predicting Drug-Drug Interaction Events Based on Multimodal Hybrid Fusion. August 18, 2023
Bioinformatics | Pharmacology Improving drug-target affinity prediction via feature fusion and knowledge distillation. April 26, 2023
Bioinformatics | Oncology | Pharmacology Development, validation, and evaluation of a deep learning model to screen cyclin-dependent kinase 12 inhibitors in cancers. February 24, 2023
Other Predicting molecular properties based on the interpretable graph neural network with multistep focus mechanism. December 16, 2022
Drug Discovery | Pharmacology Exploring Low-Toxicity Chemical Space with Deep Learning for Molecular Generation. June 17, 2022
Biomedicine | Computational Biology | Drug Discovery TrimNet: learning molecular representation from triplet messages for biomedicine. November 4, 2020
Bioinformatics | Drug design | Medicine MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm. August 11, 2020