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Books > Professional & Technical > Industrial chemistry & manufacturing technologies > Industrial chemistry > Pharmaceutical technology
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Chemoinformatics - Concepts, Methods, and Tools for Drug Discovery (Hardcover, 2004 ed.)
Loot Price: R4,469
Discovery Miles 44 690
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Chemoinformatics - Concepts, Methods, and Tools for Drug Discovery (Hardcover, 2004 ed.)
Series: Methods in Molecular Biology, 275
Expected to ship within 10 - 15 working days
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In the literature, several terms are used synonymously to name the
topic of this book: chem-, chemi-, or chemo-informatics. A widely
recognized de- nition of this discipline is the one by Frank Brown
from 1998 (1) who defined chemoinformatics as the combination of
"all the information resources that a scientist needs to optimize
the properties of a ligand to become a drug. " In Brown's
definition, two aspects play a fundamentally important role: de-
sion support by computational means and drug discovery, which
distinguishes it from the term "chemical informatics" that was
introduced at least ten years earlier and described as the
application of information technology to ch- istry (not with a
specific focus on drug discovery). In addition, there is of course
"chemometrics," which is generally understood as the application of
statistical methods to chemical data and the derivation of relevant
statistical models and descriptors (2). The pharmaceutical focus of
many developments and efforts in this area-and the current
popularity of gene-to-drug or si- lar paradigms-is further
reflected by the recent introduction of such terms as "discovery
informatics" (3), which takes into account that gaining kno- edge
from chemical data alone is not sufficient to be ultimately
successful in drug discovery. Such insights are well in accord with
other views that the boundaries between bio- and chemoinformatics
are fluid and that these d- ciplines should be closely combined or
merged to significantly impact b- technology or pharmaceutical
research (4).
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