Computer applications drug discovery (6 Ergebnisse)

Zustand: New. In English.

Taschenbuch. Zustand: Neu. Neuware - Drug discovery has evolved from empirical experimentation into a data-driven, computation-intensive discipline, yet challenges of high attrition, rising costs, and translational failure persist. Addressing this complexity demands a mechanistic and predictive approach to molecular design.Computer-Aided Drug Design: Principles, Methods, and Applications in Drug Discovery presents a rigorous and integrated framework for modern CADD, encompassing molecular modeling, QSAR, docking, molecular dynamics, virtual screening, pharmacophore modeling, and fragment-based design. Rather than isolating techniques, the text connects algorithms, physicochemical principles, and biological systems to explain how computational methods guide rational drug development .Designed for postgraduate pharmacy students, doctoral researchers, and professionals, the book delivers conceptual clarity and algorithmic understanding while supporting structured academic responses and practical workflow competence.Its distinguishing strength lies in mechanistic depth and decision-focused reasoning-each method is examined in terms of its assumptions, parameter sensitivity, and real-world applicability, bridging computational prediction with pharmaceutical relevance.As drug discovery increasingly integrates artificial intelligence and large-scale data, this work provides a clear intellectual pathway to navigate and advance the future of rational therapeutic design.…

Buch. Zustand: Neu. Neuware - Modern drug discovery and design programs use computer aided drug discovery (CADD) for identifying and optimizing bioactive compounds used for developing new drugs. It is also known by alternative terms such as in-silico pharmacology and computational therapeutics. CADD approaches are vital in identifying viable drug candidates at a low cost. These approaches are usually divided into two types, namely, structure-based and ligand-based drug design approaches. Both these approaches are used to identify suitable lead molecules. These computational methods are useful for reducing the use of animal models in pharmacological research, assisting in the rational design of novel and safe drug candidates, repositioning marketed drugs, and assisting medicinal chemists and pharmacologists throughout the drug discovery process. This book is a compilation of chapters that discuss the most vital concepts and emerging trends in the usage of computers for drug discovery and design. It will provide comprehensive knowledge to the readers.…

Zustand: Hervorragend. Zustand: Hervorragend | Seiten: 356 | Sprache: Englisch | Produktart: Bücher | With more restrictions upon animal experimentations, pharmaceutical industries are currently focusing on a new generation of experiments and technologies that are considerably more efficient and less controversial. The integration of computational and experimental strategies has led to the identification and development of promising compounds. Computer Applications in Drug Discovery and Development is a pivotal reference source that provides innovative research on the application of computers for discovering and designing new drugs in modern molecular biology and medicinal chemistry. While highlighting topics such as chemical structure databases and dataset utilization, this publication delves into the current panorama of drug discovery, where high drug failure rates are a major concern and properly designed virtual screening strategies can be a time-saving, cost-effective, and productive alternative. This book is ideally designed for chemical engineers, pharmacists, molecular biologists, students, researchers, and academicians seeking current research on the unexplored avenues and future perspectives of drug design.…

Zustand: New. In English.

Zustand: New. In English.