文件名称:
Chemoinformatics-Theory Practice and Products
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文件大小: 9mb
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上传时间: 2008-01-07
详细说明： Chemoinformatics: Theory, Practice & Products covers the theory, commercially
available packages and applications of Chemoinformatics. Chemoinformatics is
broadly defined as the use of information technology to assist in the acquisition,
analysis and management of data and information relating to chemical compounds
and their properties. This includes molecular modeling, reactions, spectra and structure-
activity relationships associated with chemicals. Computational scientists,< ;br>chemists, and biologists all rely on the rapidly evolving field of Chemoinformatics.
Chemoinformatics: Theory, Practice & Products is an essential handbook for determining
the right Chemoinformatics method or technology to use. There has been an
explosion of new Chemoinformatics tools and techniques. Each technique has its own
utility, scope, and limitations, as well as meeting resistance to use by experimentalists.
The purpose of Chemoinformatics: Theory, Practice & Products is to provide computational
scientists, medicinal chemists and biologists with unique practical information
and the underlying theories relating to modern Chemoinformatics and related
drug discovery informatics technologies.
The book also provides a summary of currently available, state-of-the-art, commercial
Chemoinformatics products, with a specific focus on databases, toolkits, and
modeling technologies designed for drug discovery. It will be broadly useful as a reference
text for experimentalists wishing to rapidly navigate the expanding field, as
well as the more expert computational scientists wishing to stay up to date.
It is primarily intended for applied researchers from the chemical and pharmaceutical
industry, academic investigators, and graduate students.
The purpose of “Chemoinformatics: Theory, Practice, & Products” is to provide
scientists with practical information and a fundamental understanding of the latest
chemoinformatics technologies applied to drug discovery and other applications.
Given an ever-expanding list of drug discovery informatics tools available to the modern
researcher, understanding the underlying theories, organizing and summarizing the
tools for best practices should be broadly useful. It is intended to be a regularly used text. ...展开收缩
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