Computational Intelligence in Drug Development
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Beschreibung
This book offers a comprehensive overview of cutting-edge computational strategies in drug discovery, with a focus on in silico approaches that accelerate the identification and optimization of therapeutic candidates. Readers will find detailed insights into molecular docking, molecular dynamics simulations, and structure-based drug design, alongside predictive models for toxicity, pharmacokinetics (ADMET), and enzyme inhibition. By combining theoretical foundations with practical applications, the volume highlights how artificial intelligence and computational chemistry are reshaping modern pharmaceutical research and enabling the development of safer, more effective drugs.
This book offers a comprehensive overview of cutting-edge computational strategies in drug discovery, with a focus on in silico approaches that accelerate the identification and optimization of therapeutic candidates. Readers will find detailed insights into molecular docking, molecular dynamics simulations, and structure-based drug design, alongside predictive models for toxicity, pharmacokinetics (ADMET), and enzyme inhibition. By combining theoretical foundations with practical applications, the volume highlights how artificial intelligence and computational chemistry are reshaping modern pharmaceutical research and enabling the development of safer, more effective drugs.
Explores in silico drug discovery with AI, molecular docking, and predictive pharmacokinetics Combines theory and practice to accelerate safer, smarter therapeutic development Reveals cutting-edge computational tools reshaping modern pharmaceutical research
Autor*in
Carlton A. Taft
Themen in »Computational Intelligence in Drug Development«
Density Functional Theory Simulations Molecular Dynamics ADME/TOX Pharmacokinetics Phytotherapeutics Computational Toxicology Promissing Ligands Docking Phytotechnology Computational Simulation Molecular Modeling