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.
General
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