主题词：Computational Drug Discovery Methods; Analytical Chemistry and Chromatography; Free Radicals and Antioxidants; Environmental Toxicology and Ecotoxicology; Synthesis and biological activity; Toxic Organic Pollutants Impact; Metabolomics and Mass Spectrometry Studies; Spectroscopy and Chemometric Analyses; Chemistry and Chemical Engineering; Effects and risks of endocrine disrupting chemicals; Pesticide Residue Analysis and Safety; Machine Learning in Bioinformatics; Machine Learning in Materials Science; Cholinesterase and Neurodegenerative Diseases; HIV/AIDS drug development and treatment; Protein Structure and Dynamics; Pesticide and Herbicide Environmental Studies; Chemical Thermodynamics and Molecular Structure; Pesticide Exposure and Toxicity; Microbial Community Ecology and Physiology; Pharmacogenetics and Drug Metabolism; Pharmaceutical and Antibiotic Environmental Impacts; Estrogen and related hormone effects; Click Chemistry and Applications; Receptor Mechanisms and Signaling