Bioinformatics | Drug Discovery | Pharmacology Machine Learning Meets Physics-based Modeling: A Mass-spring System to Predict Protein-ligand Binding Affinity. August 2, 2024
Bioinformatics | Drug Discovery | Pharmacology | Toxicology Unleashing the potential of cell painting assays for compound activities and hazards prediction. August 1, 2024
Drug metabolism | Pharmacology MetaPredictor: in silico prediction of drug metabolites based on deep language models with prompt engineering. July 31, 2024
Bioinformatics | Chemistry | Pharmacology Computational methods and key considerations for in silico design of proteolysis targeting chimera (PROTACs). July 31, 2024
Bioinformatics | Drug Discovery | Pharmacology MMCL-CPI: A multi-modal compound-protein interaction prediction model incorporating contrastive learning pre-training. July 30, 2024
Artificial Intelligence | Bioinformatics | Pharmacology MuCoCP: A priori chemical knowledge-based multimodal contrastive learning pre-trained neural network for the prediction of cyclic peptide membrane penetration ability. July 28, 2024
Pharmacology | Toxicology Computational Insights into Reproductive Toxicity: Clustering, Mechanism Analysis, and Predictive Models. July 27, 2024
Bioinformatics | Oncology | Pharmacology An Innovative Multi-Omics Model Integrating Latent Alignment and Attention Mechanism for Drug Response Prediction. July 27, 2024
Biochemistry | Oncology | Pharmacology Insights into the Interaction Mechanisms of Peptide and Non-Peptide Inhibitors with MDM2 Using Gaussian-Accelerated Molecular Dynamics Simulations and Deep Learning. July 27, 2024
Adverse Drug Reactions | Drug Discovery | Pharmacology Predicting Drugs Suspected of Causing Adverse Drug Reactions Using Graph Features and Attention Mechanisms. July 27, 2024
Oncology | Pharmacology | Regulatory Affairs Biosimilars in the Era of Artificial Intelligence-International Regulations and the Use in Oncological Treatments. July 27, 2024