Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences brings together two very important fields in pharmaceutical sciences that have been mostly seen as diverging from each other: chemoinformatics and bioinformatics. As developing drugs is an expensive and lengthy process, technology can improve the cost, efficiency and speed at which new drugs can be discovered and tested. This book presents some of the growing advancements of technology in the field of drug development and how the computational approaches explained here can reduce the financial and experimental burden of the drug discovery process. This book will be useful to pharmaceutical science researchers and students who need basic knowledge of computational techniques relevant to their projects. Bioscientists, bioinformaticians, computational scientists, and other stakeholders from industry and academia will also find this book helpful.

Pyrolysis of Organic Molecules with Applications to Health and Environmental Issues, the 28th volume in the Techniques and Instrumentation in Analytical Chemistry series, gives a systematic and comprehensive description of pyrolysis of non-polymeric organic molecules. Pyrolysis is involved in many practical applications as well as in many common human activities, but harmful compounds can be generated in the process. The study of pyrolysis and of the formation of undesirable compounds as a result of pyrolytic processes is of considerable interest to chemists, chemical engineers, and toxicologists.
Pyrolysis results for compounds not previously studied or reported. Updated information from a large body of results published on pyrolysis of individual compounds or classes of compounds. Information on mechanisms and kinetics of numerous pyrolytic processes.

"Advances in Quantum Chemistry" presents surveys of current developments in this rapidly developing field. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.
* Publishes articles, invited reviews and proceedings of major international conferences and workshops
* Written by leading international researchers in quantum and theoretical chemistry
* Highlights important interdisciplinary developments

Translational motion in solution, either diffusion or fluid flow, is at the heart of chemical and biochemical reactivity. Nuclear Magnetic Resonance (NMR) provides a powerful non-invasive technique for studying the phenomena using magnetic field gradient methods. Describing the physical basis of measurement techniques, with particular emphasis on diffusion, balancing theory with experimental observations and assuming little mathematical knowledge, this is a strong, yet accessible, introduction to the field. A detailed discussion of magnetic field gradient methods applied to Magnetic Resonance Imaging (MRI) is included, alongside extensive referencing throughout, providing a timely, definitive book to the subject, ideal for researchers in the fields of physics, chemistry and biology.

Electron paramagnetic resonance (EPR) applications remain highly significant in modern analytical science and this volume compiles critical coverage of developments in the recent literature. The topics covered in this volume describe contrasting types of EPR application, including rapid scan EPR, using the EPR toolkit to investigate the structural dynamics of membrane proteins and pulse dipolar EPR spectroscopy for investigating biomolecular binding events. An additional chapter reviewing the PARACAT collaboration from the EU has also been included. Providing a snapshot of the area by a handpicked group of researchers at the cutting-edge of the field, this book is a useful addition to any library supporting this research.

"Advances in Quantum Chemistry" presents surveys of current developments in this rapidly developing field. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.
* Publishes articles, invited reviews and proceedings of major international conferences and workshops
* Written by leading international researchers in quantum and theoretical chemistry
* Highlights important interdisciplinary developments

This book crosses the boundary from exploration- and production-related chemistry to refining, from upstream through downstream. It discusses the composition of petroleum through the use of "petroleum molecular composition continuity model." .

Gas and liquid-phase unimolecular reactions are central to the complex chemistry of a large number of processes, from those occurring in the Earth's atmosphere to those involved in transportation, power and manufacturing. Improving our understanding of the fundamental chemistry of these processes is critical to solving contemporary challenges such as climate change, as well as improving industrial efficiency. One hundred years have passed since the proposal of the Lindemann mechanism in 1922, and the current state of this field is as exciting and important as ever. The unique format of the Faraday Discussions allows for in-depth discussions across the full scope of the field, from new perspectives in kinetics and dynamics to application to current challenges such as atmospheric pollution, alternative fuels and industrial processes. This volume brings together global leaders to examine the current state of unimolecular reaction experiments as well as theory and applications to current challenges. In this volume the topics covered are organised into the following themes: Collisional energy transfer The reaction step The Master Equation Impact of Lindemann and related theories

This continuing authoritative series deals with the chemistry, materials science, physics and technology of the rare earth elements in an integrated manner. Each chapter is a comprehensive, up-to-date, critical review of a particular segment of the field. The work offers the researcher and graduate student a complete and thorough coverage of this fascinating field.

Authoritative
Comprehensive
Up-to-date
Critical

Comprehensive Chemometrics, Second Edition, Four Volume Set features expanded and updated coverage, along with new content that covers advances in the field since the previous edition published in 2009. Subject of note include updates in the fields of multidimensional and megavariate data analysis, omics data analysis, big chemical and biochemical data analysis, data fusion and sparse methods. The book follows a similar structure to the previous edition, using the same section titles to frame articles. Many chapters from the previous edition are updated, but there are also many new chapters on the latest developments.