Chemoinformatics: Theory, Practice, & Products, anonym.to

Chemoinformatics: Theory, Practice, & Products

Date: 01 Apr 2007, 05:07

Pages:295

Chemoinformatics: Theory, Practice & Products covers 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 ranges from molecular modelling, to reactions, to spectra,

to structure-activity relationships associated with chemicals. Computational scientists, 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 modelling 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 pharmaceuticalindustry, academic

investigators, and graduate students.

Part 1

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