Computational Methods in Medicinal Chemistry, Pharmacology, and Toxicology

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.