Oncology | Pharmacology Combination of QSAR Modeling and Hybrid-Based Consensus Scoring to Identify Dual-Targeting Inhibitors of PLK1 and p38γ. October 26, 2023
Bioinformatics | Computational Chemistry | Pharmacology Integrated Molecular Modeling and Machine Learning for Drug Design. October 26, 2023
Biochemistry | Immunology | Pharmacology Exploring molecular interactions of potential inhibitors against the spleen tyrosine kinase implicated in autoimmune disorders via virtual screening and molecular dynamics simulations. October 26, 2023
Neuroscience | Pharmacology Transition-based reweighting and neural rational inference analysis of effects of new psychoactive substances on cannabinoid receptors. October 24, 2023
Neurology | Pharmacology The evolution of antiseizure medication therapy selection in adults: Is artificial intelligence -assisted antiseizure medication selection ready for prime time? October 23, 2023
Bioinformatics | Chemistry | Oncology | Pharmacology Combined Deep Learning and Molecular Modeling Techniques on the Virtual Screening of New mTOR Inhibitors from the Thai Mushroom Database. October 23, 2023
Cardiology | Drug Discovery | Pharmacology Benchmarking of Small Molecule Feature Representations for hERG, Nav1.5, and Cav1.2 Cardiotoxicity Prediction. October 23, 2023
Bioinformatics | Computational Biology | Drug Discovery | Pharmacology ResBiGAAT: Residual Bi-GRU with attention for protein-ligand binding affinity prediction. October 22, 2023
Biopharmaceutics | Pharmacology Neural Network Models for Predicting Solubility and Metabolism Class of Drugs in the Biopharmaceutics Drug Disposition Classification System (BDDCS). October 21, 2023
Bioinformatics | Pharmacology Prediction of Cytochrome P450 Inhibition Using a Deep Learning Approach and Substructure Pattern Recognition. October 21, 2023
Biochemistry | Chemistry | Pharmacology Deep graph convolutional network for small-molecule retention time prediction. October 21, 2023
Chemical Biology | Pharmacology GSAML-DTA: An interpretable drug-target binding affinity prediction model based on graph neural networks with self-attention mechanism and mutual information. October 20, 2023