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Practical Data Analysis in Chemistry
The majority of modern instruments are computerised and provide incredible amounts of data. Methods that take advantage of the flood of data are now available; importantly they do not emulate 'graph paper analyses' on the computer. Modern computational methods are able to give us insights into data, but analysis or data fitting in chemistry requires the quantitative understanding of chemical processes. The results of this analysis allows the modelling and prediction of processes under new conditions, therefore saving on extensive experimentation. Practical Data Analysis in Chemistry exemplifies every aspect of theory applicable to data analysis using a short program in a Matlab or Excel spre...
Reviews in Computational Chemistry, Volume 17
Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and cellular automata modeling, as well as an extensive bibliography of computational chemistry books. FRO...
Applied Spectroscopy
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Technometrics
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Simulated Evolution and Learning
This book constitutes the refereed proceedings of the 6th International Conference on Simulated Evolution and Learning, SEAL 2006, held in Hefei, China in October 2006. The 117 revised full papers presented were carefully reviewed and selected from 420 submissions.
InTech
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Chemometrics
An outstanding practical guide to the most common chemometric methods in use today Chemometrics explains how to apply the most widely used pattern recognition and multivariate calibration techniques to solve data analysis problems. This practical guide describes all key methods in terms of processes and applications in order to help the reader easily identify the best technique for a given situation. Drawing on years of industrial experience with chemometric tools, the authors share their six basic steps, or "habits," for achieving reliable chemometric results, and cover key areas such as: * Defining and understanding the problem * Experimental planning and design * Preprocessing of samples and variables * Supervised and unsupervised pattern recognition * Classical and inverse methods of multivariate calibration Complete with helpful chapter-end summaries, technical references, and more, this book is an invaluable hands-on resource for analytical chemists and laboratory scientists who use chemometrics in their work.
Alkenes—Advances in Research and Application: 2013 Edition
Alkenes—Advances in Research and Application: 2013 Edition is a ScholarlyBrief™ that delivers timely, authoritative, comprehensive, and specialized information about ZZZAdditional Research in a concise format. The editors have built Alkenes—Advances in Research and Application: 2013 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about ZZZAdditional Research in this book to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Alkenes—Advances in Research and Application: 2013 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
Advances in Natural Computation
This book and its sister volumes, i.e., LNCS vols. 3610, 3611, and 3612, are the proceedings of the 1st International Conference on Natural Computation (ICNC 2005), jointly held with the 2nd International Conference on Fuzzy Systems and Knowledge Discovery (FSKD 2005, LNAI vols. 3613 and 3614) from 27 to 29 August 2005 in Changsha, Hunan, China.
