This book explores the application of intelligent computing methods in chemical engineering, with a focus on the analysis of molecular structures through mathematical and computational approaches. The biochemical and pharmacological properties of chemical compounds are closely linked to their molecular configurations, and molecular graph-based indices provide valuable insights into their structural characteristics. By investigating distance-based and degree-based topological indices of important chemical structures, this work presents computational techniques for understanding compounds, nanomaterials, and drug-related molecules. The book offers a valuable resource for researchers and professionals in chemical engineering, computational chemistry, molecular modeling, and related fields, highlighting the role of intelligent approaches in advancing chemical structure analysis and materials research.
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