Extrapolation Practice for Ecotoxicological Effect Characterization of Chemicals

Chemistry

Keith R. Solomon, Theo C.M. Brock, Dick De Zwart, “Extrapolation Practice for Ecotoxicological Effect Characterization of Chemicals”
Gregory A. Voth, “Coarse-Graining of Condensed Phase and Biomolecular Systems”
Pietro Traldi, Franco Magno, Irma Lavagnini, “Quantitative Applications of Mass Spectrometry”
McGraw-Hill, “Chemistry: Matter and Change, Supplemental Problems”
Nianyi Chen, Wencong Lu, Jie Yang, “Support Vector Machine In Chemistry”

Keith R. Solomon, Theo C.M. Brock, Dick De Zwart, “Extrapolation Practice for Ecotoxicological Effect Characterization of Chemicals”

2008 | pages: 410 | ISBN: 1420073907 | PDF | 8,3 mb

A wide-ranging compilation of techniques, Extrapolation Practice for Ecotoxicological Effect Characterization of Chemicals describes methods of extrapolation in the framework of ecological risk assessment. The book, informally known as EXPECT, identifies data needs and situations where these extrapolations can be most usefully applied, making it a practical guide to the application of extrapolation procedures. It focuses on the extrapolation of chemical effects and covers the extrapolation of exposures in the context of interactions between toxicants and the matrix.

Gregory A. Voth, “Coarse-Graining of Condensed Phase and Biomolecular Systems”

2008 | pages: 492 | ISBN: 1420059556 | PDF | 12,7 mb

Exploring recent developments in the field, Coarse-Graining of Condensed Phase and Biomolecular Systems examines systematic ways of constructing coarse-grained representations for complex systems. It explains how this approach can be used in the simulation and modeling of condensed phase and biomolecular systems.
Each chapter focuses on specific examples of evolving coarse-graining methodologies and presents results for a variety of complex systems. The contributors carefully detail their own coarse-graining approach, exploring its motivation, strengths, weaknesses, and important application examples. They discuss two of the most successful coarse-graining schemes for soft matter: inverse and multiscale coarse-graining. The book also describes current coarse-grained model development for peptides and proteins at the amino acid level and larger length scales.
Assembling the work of some of the most influential, world-renowned researchers in the field, this book provides a unified, in-depth overview of all the coarse-grained schemes developed for condensed phase and biomolecular systems. It shows the promise of coarse-graining as a revolutionary advancement in the scientific community.

Pietro Traldi, Franco Magno, Irma Lavagnini, “Quantitative Applications of Mass Spectrometry”

2006 | pages: 154 | ISBN: 0470025166 | PDF | 1,0 mb

This text presents the information needed to design a successful quantitative analysis using mass spectrometric techniques currently available and widely employed. It is devoted to the researchers of different areas, who use mass spectrometry as a detector suitable for the measurements of their interest.
– An essential book for the practicing mass spectroscopist
– A genuine ‘how-to’ text for the practitioner focusing on quantification rather than instrumental design and techniques
– Up-to-date structured text describing methods, experimental strategy, capabilities and limitations, with data analysis and interpretation
– Brings together material widely dispersed in the pertinent literature into one unique source
– Internationally recognized group of authors

McGraw-Hill, “Chemistry: Matter and Change, Supplemental Problems”

2001 | pages: 44 | ISBN: 0078245354 | PDF | 1,4 mb

Nianyi Chen, Wencong Lu, Jie Yang, “Support Vector Machine In Chemistry”

2004 | pages: 343 | ISBN: 9812389229 | PDF | 11,8 mb

In recent years, the support vector machine (SVM), a new data processing method, has been applied to many fields of chemistry and chemical technology. Compared with some other data processing methods, SVM is especially suitable for solving problems of small sample size, with superior prediction performance. SVM is fast becoming a powerful tool of chemometrics. This book provides a systematic approach to the principles and algorithms of SVM, and demonstrates the application examples of SVM in QSAR/QSPR work, materials and experimental design, phase diagram prediction, modeling for the optimal control of chemical industry, and other branches in chemistry and chemical technology.