Computational Methods in Medicinal Chemistry, Pharmacology, and Toxicology

Specificaties
Paperback, blz. | Engels
Elsevier Science | e druk, 2025
ISBN13: 9780443330247
Rubricering
Elsevier Science e druk, 2025 9780443330247
Verwachte levertijd ongeveer 9 werkdagen

Samenvatting

Computational Methods in Medicinal Chemistry, Pharmacology, and Toxicology is a comprehensive resource that offers an advanced overview of computational techniques employed in drug discovery, design, and toxicity prediction. The book discusses various topics, including molecular modeling, virtual screening, machine learning, and network pharmacology. It serves as an essential guide for researchers, practitioners, and students in pharmacology, toxicology, medicinal chemistry, bioinformatics, and systems biology fields, showcasing practical applications and future perspectives on new technologies. In addition to covering computational approaches, the book provides real-world examples of drug discovery, candidate optimization, and safety assessment.

Other sections explore computer applications in pharmacology and toxicology and discusses the importance of these methods in advancing medicinal research.

Specificaties

ISBN13:9780443330247
Taal:Engels
Bindwijze:Paperback

Inhoudsopgave

Part I: Computational Techniques and Approaches<br>1. Introduction to Computational Methods in Medicinal Chemistry, Pharmacology and Toxicology<br>2. Applications of Machine Learning for Advanced Drug Discovery and Design<br>3. Exploring Deep Learning Applications in Drug Discovery and Design<br>4. Pattern Recognition, Molecular Descriptors, Quantum Mechanics, and Representation Methods<br>5. Exploring Databases Supporting Computational Pharmacology and Toxicology Techniques: An Overview<br>Part II: Computer Applications in Medicinal Chemistry, Pharmacology and Toxicology: Pharmaceutical, Industrial, and Clinical Settings<br>6. QSAR and Pharmacophore Modeling in Computational Drug Design<br>7. Docking in Drug Discovery: Principles, Techniques, and Applications<br>8. In Silico Molecular Dynamics Simulations<br>9. Computational Techniques for Enhancing PK/PD Modeling and Simulation and ADMET prediction<br>10. Predictive Modeling in Toxicology: Unveiling Risks and Ensuring Safety<br>11. Integrated Network Analysis in Pharmacology: Decoding Interactions and Pathways for Therapeutic Insights<br>Part III: Future Perspectives on New Technologies in Medicinal Chemistry, Pharmacology and Toxicology<br>12. An Overview of Computational Tools and Approaches for Green Molecular Design to Minimize Toxicological Risk in Chemical Compounds<br>13. Big Data in Computational Medicinal Chemistry, Pharmacology and Toxicology, Challenges and Opportunities<br>14. Development of Next-Generation Tools for Advancing Computational Medicinal Chemistry, Pharmacology and Toxicology<br>15. Ethical Considerations in Machine Learning and AI for Medicinal Chemistry, Pharmacology and Toxicology

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        Computational Methods in Medicinal Chemistry, Pharmacology, and Toxicology