Metabolomics | Pharmacology | Plant Medicine An integrated chemical characterization based on FT-NIR, and GC-MS for the comparative metabolite profiling of 3 species of the genus Amomum. October 20, 2023
Bioinformatics | Pharmacology AffinityVAE: A multi-objective model for protein-ligand affinity prediction and drug design. October 18, 2023
Chemistry | Pharmacology Artificial intelligence for prediction of biological activities and generation of molecular hits using stereochemical information. October 17, 2023
Drug Discovery | Pharmacology | Toxicology Predictive Models Based on Molecular Images and Molecular Descriptors for Drug Screening. October 16, 2023
Biomedical imaging | Oncology | Pharmacology Exploration of Chick Embryo and Chorioallantoic Membrane on Imaging Navigated Platforms for Anticancer Pharmaceutical Evaluations. October 16, 2023
Bioinformatics | Chemistry | Pharmacology Graph neural networks for the identification of novel inhibitors of a small RNA. October 15, 2023
Artificial Intelligence | Drug Discovery | Pharmacology DeepADRA2A: predicting adrenergic α2a inhibitors using deep learning. October 14, 2023
Bioinformatics | Drug Development | Pharmacology Pmf-cpi: assessing drug selectivity with a pretrained multi-functional model for compound-protein interactions. October 14, 2023
Bioinformatics | Pharmacology Discovering the Active Ingredients of Medicine and Food Homologous Substances for Inhibiting the Cyclooxygenase-2 Metabolic Pathway by Machine Learning Algorithms. October 14, 2023
Drug Development | Pharmacology Prediction of Small-Molecule Developability Using Large-Scale ADMET Models. October 10, 2023
Immunology | Pharmacology High-content image-based screening and deep learning for the detection of anti-inflammatory drug leads. October 10, 2023
Bioinformatics | Oncology | Pharmacology Predicting synergistic anticancer drug combination based on low-rank global attention mechanism and bilinear predictor. October 9, 2023