Quantitative Structure-Activity Relationship (QSAR) is a field where true multidisciplinary approaches are being used. This volume titled Recent Trends on QSAR in the Pharmaceutical Perceptions offers an overview on the latest advancements in the field.

Computer-Aided Drug Design (CADD) is a comprehensive guide designed for both beginners and experienced users in CADD. This book covers the fundamental principles and gradually delves into more advanced concepts and techniques, making it an invaluable resource to anyone interested in CADD. It begins by establishing a solid foundation, explaining the core concepts of CADD, the user interface and essential tools. It covers QSAR, molecular docking, homology modeling, virtual screening, pharmacophore modeling, ensuring that the reader can quickly become proficient in CADD. The book provides in-depth insights into 3D modeling, rendering, and parametric design. The style of the book is simple, every topic begins from the very basics and explores advanced levels with clarity. Practical examples, step-by-step tutorials and hands-on exercises, are included for better understanding.

This book aims to examine innovation in the fields of computer engineering and networking. The book covers important emerging topics in computer engineering and networking, and it will help researchers and engineers improve their knowledge of state-of-art in related areas. The book presents papers from the 4th International Conference on Computer Engineering and Networks (CENet2014) held July 19-20, 2014 in Shanghai, China.

This revised and up-dated second edition provides a current insight into how the fundamental principles of the chemistry of colour are applied in dyes and pigments. The text has been expanded and re-written throughout, while largely maintaining the structure of the first edition. In particular, the chapter on functional dyes has been substantially re-written to embrace the significant developments in chemistry and technology that this area has experienced in the last decade. As industry and society have become increasingly sensitive towards environmental issues, the chapter describing how the colour industry has been responding is expanded to reflect this growing importance. A new chapter is introduced on colour in cosmetics, with particular emphasis on hair dyes, reflecting the growing international, industrial significance of this topic. This chapter is co-written with Dr Olivier Morel. Colour Chemistry will be of interest to academics and industrialists who are specialists in colour science or who have involvement with the diverse range of coloured materials, for example traditional application in textiles, paints, printing inks, plastics and cosmetics, and functional applications in electronics and biology. Broad and balanced in its coverage, this book provides an introduction to the chemistry of colour that is ideal for students, graduates and those in industry and academia seeking an introduction to the topic. Robert Christie is a Professor in Colour Chemistry and Technology at Heriot-Watt University, Scotland, and a Distinguished Adjunct Professor at the King Abdulaziz University, Saudi Arabia. He also acts as a consultant to the colour manufacturing and application industry worldwide.

Modern medicine is impossible without antibiotics, but global antibiotic usage has led to the development of increasing numbers of multi-drug resistant (MDR) bacteria. Thus, we still have problems with infectious disease treatment despite an arsenal of antibiotics. This has forced researchers to develop new drugs that will be effective against resistant bacteria. Some of these prospective molecules are antimicrobial peptides (AMPs), which are an important component of the innate immune system of various organisms in nature. Currently, more than 3,000 AMPs have been reported with different activities against different bacterial species including resistant phenotype bacteria. AMPs display remarkable structural and functional diversity that is not completely understood. As such, this book presents a comprehensive overview of AMPs and their mechanism of action against MDR bacteria.

In the early 1900s, Paul Ehrlich first defined pharmacophores as molecule frameworks that carry the essential features responsible for a drug's biological activity, and the modern definition is little changed. The 27 studies here begin by tracing the evolution of the concept in pharmaceutical research, then cover analog-based and receptor-based varieties, new algorithms, and the future of research. Among the specific topics: pharmacophores based on multiple common-feature alignments; modeling programs including HypoGen, DISCO, Catalyst, HipHop, GASP, Chem-X, Apex-3D, CoMFA; pharmacophore-based molecular docking, a technique for developing a pharmacophore model that accommodates inherent protein flexibility; and the effect of variable weights and tolerances on predictive model generation. Books in Print lists only one other book on the topic of pharmacophores. Annotation copyrighted by Book News, Inc., Portland, OR

The growth of technology for chemical assessment has led to great developments in the investigation of chemical reactivity in recent years, but key information is often dispersed across many different research fields. Combining both original principles and the cutting-edge theories used in chemical reactivity analysis, Chemical Reactivity, Volume 1 present the latest developments in theoretical chemistry and its application for the assessment of chemical processes.Beginning with an exploration of different theories and principles relating to electronic structure and reactivity of confined electronic systems, the book goes on to highlight key information on such topics as Dyson orbitals, target-ion overlaps, reaction fragility, magnetizability principles and the Fuki function. Density Functional Theory is discussed in relation to numerous different principles and approaches, with further information on constrained methods and diabatic models, bonding evolution theory, orbital-based population analysis models and charge transfer models, and Quantum chemistry and QTAIM.Consolidating the knowledge of a global team of experts in the field, Chemical Reactivity, Volume 1: Theories and Principles is a useful resource for both students and researchers interested in gaining greater understanding of the principles and theories underpinning chemical reactivity analysis. - Provides readers with the key information needed to gain a good overview of contemporary chemical reactivity studies and a clear understanding of the theory behind state-of-the-art methods in the field - Highlights advances in the computational descriptions of reactivity, including reactivity in confined environments, conceptual density functional theory, and multi-reference quantum chemistry - Provides comprehensive coverage by consolidating the knowledge of many well-known researchers in the field from around the world