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Cheminformatics Developments
The developments in information technology in the last decades of the 20th century have fundamentally changed the way in which scientific information is being communicated and used. A scientific discipline where the impact of these changes has been particularly significant is (bio)chemistry. Up to less than 25 years ago, molecular modeling was a hardly-existent computational chemistry niche, only practiced at those few institutes that could afford the very expensive specialised hardware. Also rapid access to not only the primary literature but, possibly even more importantly, to the factual primary data about millions of chemical compounds, to reactions, structures, and spectra, and to the g...
Hydrogen and Fuel Cells
Authored by 40 of the most prominent and renowned international scientists from academia, industry, institutions and government, this handbook explores mature, evolving technologies for a clean, economically viable alternative to non-renewable energy. In so doing, it includes how hydrogen can be safely produced, stored, transported and utilized, while also covering such broader topics as the environmental impact, education and regulatory developments.
Fuel Cells
The expected end of the “oil age” will lead to increasing focus and reliance on alternative energy conversion devices, among which fuel cells have the potential to play an important role. Not only can phosphoric acid and solid oxide fuel cells already efficiently convert today’s fossil fuels, including methane, into electricity, but other types of fuel cells, such as polymer electrolyte membrane fuel cells, have the potential to become the cornerstones of a possible future hydrogen economy. Featuring 21 peer-reviewed entries from the Encyclopedia of Sustainability Science and Technology, Fuel Cells offers concise yet comprehensive coverage of the current state of research and identifies key areas for future investigation. Internationally renowned specialists provide authoritative introductions to a wide variety of fuel cell types, and discuss materials, components, and systems for these technologies. The entries also cover sustainability and marketing considerations, including comparisons of fuel cells with alternative technologies.
Applied Chemoinformatics
Edited by world-famous pioneers in chemoinformatics, this is a clearly structured and applications-oriented approach to the topic, providing up-to-date and focused information on the wide range of applications in this exciting field. The authors explain methods and software tools, such that the reader will not only learn the basics but also how to use the different software packages available. Experts describe applications in such different fields as structure-spectra correlations, virtual screening, prediction of active sites, library design, the prediction of the properties of chemicals, the development of new cosmetics products, quality control in food, the design of new materials with improved properties, toxicity modeling, assessment of the risk of chemicals, and the control of chemical processes. The book is aimed at advanced students as well as lectures but also at scientists that want to learn how chemoinformatics could assist them in solving their daily scientific tasks. Together with the corresponding textbook Chemoinformatics - Basic Concepts and Methods (ISBN 9783527331093) on the fundamentals of chemoinformatics readers will have a comprehensive overview of the field.
Chemoinformatics
This first work to be devoted entirely to this increasingly important field, the "Textbook" provides both an in-depth and comprehensive overview of this exciting new area. Edited by Johann Gasteiger and Thomas Engel, the book provides an introduction to the representation of molecular structures and reactions, data types and databases/data sources, search methods, methods for data analysis as well as such applications as structure elucidation, reaction simulation, synthesis planning and drug design. A "hands-on" approach with step-by-step tutorials and detailed descriptions of software tools and Internet resources allows easy access for newcomers, advanced users and lecturers alike. For a mo...
3D QSAR in Drug Design
Volumes 2 and 3 of the 3D QSAR in Drug Design series aim to review the progress being made in CoMFA and other 3D QSAR approaches since the publication of the highly successful first volume about four years ago. Volume 2 (Ligand-Protein Interactions and Molecular Similarity) divides into three sections dealing with Ligand-Protein Interactions, Quantum Chemical Models and Molecular Dynamics Simulations, and Pharmacophore Modelling and Molecular Similarity, respectively. Volume 3 (Recent Advances) is also divided into three sections, namely 3D QSAR Methodology: CoMFA and Related Approaches, Receptor Models and Other 3D QSAR Approaches, and 3D QSAR Applications. More than seventy distinguished scientists have contributed nearly forty reviews of their work and related research to these two volumes which are of outstanding quality and timeliness. These works present an up-to-date coverage of the latest developments in all fields of 3D QSAR.
Handbook of Fuel Cells
A timely addition to the highly acclaimed four-volume handbook set; volumes 5 and 6 highlight recent developments, particularly in the fields of new materials, molecular modeling and durability. Since the publication of the first four volumes of the Handbook of Fuel Cells in 2003, the focus of fuel cell research and development has shifted from optimizing fuel cell performance with well-known materials to developing new materials concepts, and to understanding the origins of materials and fuel cell degradation. This new two-volume set provides an authoritative and timely guide to these recent developments in fuel cell research.
Physical Property Prediction in Organic Chemistry
For more than 100 years the Beilstein Handbook has been publishing checked and evaluated data on organic compounds. It has become the major reference book for the chemical and physical properties of organic com pounds. The prediction of these physical properties was the subject of the Beilstein workshop. The ability to predict physical properties is for several reasons of great interest to the Beilstein Institute. It is of primary importance to be able to check the abstracted data for accuracy and to eliminate simple mistakes like typing errors. Presently all the work whether manuscript writing or evaluation of data is carried out manually. This is very time consuming, with the entry of Beil...
