Bioinformatics | Chemistry | Pharmacology FG-BERT: a generalized and self-supervised functional group-based molecular representation learning framework for properties prediction. November 6, 2023
Artificial Intelligence | Drug Discovery | Pharmacology GcForest-based compound-protein interaction prediction model and its application in discovering small-molecule drugs targeting CD47. November 6, 2023
Clinical Pharmacokinetics | Pharmacology | Precision Medicine Simulating clinical trials for model-informed precision dosing: using warfarin treatment as a use case. November 6, 2023
Bioinformatics | Pharmacology Uncovering hidden therapeutic indications through drug repurposing with graph neural networks and heterogeneous data. November 4, 2023
Biomedical Informatics | Pharmacology Deep learning-enabled natural language processing to identify directional pharmacokinetic drug-drug interactions. November 2, 2023
Bioinformatics | Drug Development | Pharmacology Drug-target affinity prediction method based on multi-scale information interaction and graph optimization. October 31, 2023
Bioinformatics | Drug Discovery | Pharmacology Enhancing reinforcement learning for de novo molecular design applying self-attention mechanisms. October 30, 2023
Bioinformatics | Drug Discovery | Pharmacology Breaking the barriers of data scarcity in drug-target affinity prediction. October 30, 2023
Bioinformatics | Pharmacology Exploration of DPP-IV Inhibitory Peptide Design Rules Assisted by the Deep Learning Pipeline That Identifies the Restriction Enzyme Cutting Site. October 30, 2023
Neurology | Pharmacology Identification of Potential JNK3 Inhibitors: A Combined Approach Using Molecular Docking and Deep Learning-Based Virtual Screening. October 28, 2023
Drug interactions | Pharmacology PRID: Prediction Model Using RWR for Interactions between Drugs. October 28, 2023
Biochemistry | Oncology | Pharmacology A hybrid energy-based and AI-based screening approach for the discovery of novel inhibitors of JAK3. October 27, 2023