Journal of chemical information and modeling
38982757
Rapid and accurate calculation of acid dissociation constant (p) is crucial for designing chemical synthesis routes, optimizing catalysts, and predicting chemical behavior. Despite recent progress in machine learning, predicting solvation acidity, es...
Organic acids reflect the course of all important metabolic processes and the effects of diet, nutrient deficiency, lifestyle, and microbiota composition. In present work, we focused on identifying age-related changes in organic acids in urine, and c...
Acid whey, a dairy byproduct with low pH and high organic content, presents disposal challenges but also potential for resource recovery. In this study, chitosan gel was synthesized and evaluated for turbidity reduction of acid whey. Machine learning...
Accurate monitoring of acid value (AV) is critical for edible oil quality control, yet traditional chemometric methods often face limitations in handling complex spectral data. This study combines Raman spectroscopy with deep learning, including Conv...