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Molecular Descriptors for Chemoinformatics
The number-one reference on the topic now contains a wealth of new data: The entire relevant literature over the past six years has been painstakingly surveyed, resulting in hundreds of new descriptors being added to the list, and some 3,000 new references in the bibliography section. Volume 1 contains an alphabetical listing of more than 3300 descriptors and related terms for chemoinformatic analysis of chemical compound properties, while the second volume lists over 6,000 references selected from 450 journals. To make the data even more accessible, the introductory section has been completely re-written and now contains several "walk-through" reading lists of selected keywords for novice users.
Handbook of Molecular Descriptors
Quantitative studies on structure-activity and structure-property relationships are powerful tools in directed drug research. In recent years, various strategies have been developed to characterize and classify structural patterns by means of molecular descriptors. It has become possible not only to assess diversities or similarities of structure databases, but molecular descriptors also facilitate the identification of potential bioactive molecules from the rapidly increasing number of compound libraries. They even allow for a controlled de-novo design of new lead structures. This is the most comprehensive collection of molecular descriptors and presents a detailed review from the origins o...
The Data Analysis Handbook
Analyzing observed or measured data is an important step in applied sciences. The recent increase in computer capacity has resulted in a revolution both in data collection and data analysis. An increasing number of scientists, researchers and students are venturing into statistical data analysis; hence the need for more guidance in this field, which was previously dominated mainly by statisticians.This handbook fills the gap in the range of textbooks on data analysis. Written in a dictionary format, it will serve as a comprehensive reference book in a rapidly growing field. However, this book is more structured than an ordinary dictionary, where each entry is a separate, self-contained entit...
Handbook of Bibliometric Indicators
At last, the first systematic guide to the growing jungle of citation indices and other bibliometric indicators. Written with the aim of providing a complete and unbiased overview of all available statistical measures for scientific productivity, the core of this reference is an alphabetical dictionary of indices and other algorithms used to evaluate the importance and impact of researchers and their institutions. In 150 major articles, the authors describe all indices in strictly mathematical terms without passing judgement on their relative merit. From widely used measures, such as the journal impact factor or the h-index, to highly specialized indices, all indicators currently in use in the sciences and humanities are described, and their application explained. The introductory section and the appendix contain a wealth of valuable supporting information on data sources, tools and techniques for bibliometric and scientometric analysis - for individual researchers as well as their funders and publishers.
Measuring and Understanding Complex Phenomena
Indicators are more and more applied to describe and analyze complex systems. Typical examples: Innovation potential of nations, child-well being, Environmental health, poverty, chemical pollution, corruption of nations. The task is: How can a system of indicators be defined in order to fulfill the above expectations. One possibility is the application of the mathematical theory of partial order, especially when the indicator system shall be used for ranking purposes.
Statistical Modelling of Molecular Descriptors in QSAR/QSPR
This handbook and ready reference presents a combination of statistical, information-theoretic, and data analysis methods to meet the challenge of designing empirical models involving molecular descriptors within bioinformatics. The topics range from investigating information processing in chemical and biological networks to studying statistical and information-theoretic techniques for analyzing chemical structures to employing data analysis and machine learning techniques for QSAR/QSPR. The high-profile international author and editor team ensures excellent coverage of the topic, making this a must-have for everyone working in chemoinformatics and structure-oriented drug design.
Comprehensive Chemometrics
Designed to serve as the first point of reference on the subject, Comprehensive Chemometrics presents an integrated summary of the present state of chemical and biochemical data analysis and manipulation. The work covers all major areas ranging from statistics to data acquisition, analysis, and applications. This major reference work provides broad-ranging, validated summaries of the major topics in chemometrics—with chapter introductions and advanced reviews for each area. The level of material is appropriate for graduate students as well as active researchers seeking a ready reference on obtaining and analyzing scientific data. Features the contributions of leading experts from 21 countr...
Chemical Processes in Marine Environments
This book discusses recent developments in the study of chemical processes and equilibria in the marine environment and in the air/water and water/sediment interfaces. The chemical cycle of carbon as well as the effect of organic substances on the speciation and distribution of inorganic and organometallic substances are extensively discussed. Much of the recent progress in the area is the direct result of advanced analytical technologies and chemometric applications which are highlighted in the book.
Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development
Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development aims at showcasing different structure-based, ligand-based, and machine learning tools currently used in drug design. It also highlights special topics of computational drug design together with the available tools and databases. The integrated presentation of chemometrics, cheminformatics, and machine learning methods under is one of the strengths of the book.The first part of the content is devoted to establishing the foundations of the area. Here recent trends in computational modeling of drugs are presented. Other topics present in this part include QSAR in medicinal chemistry, structure-based methods, che...
