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Scaffold Hopping in Medicinal Chemistry (Hardcover)
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Scaffold Hopping in Medicinal Chemistry (Hardcover)
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This first systematic treatment of the concept and practice of
scaffold hopping shows the tricks of the trade and provides
invaluable guidance for the reader's own projects. The first
section serves as an introduction to the topic by describing the
concept of scaffolds, their discovery, diversity and
representation, and their importance for finding new chemical
entities. The following part describes the most common tools and
methods for scaffold hopping, whether topological, shape-based or
structure-based. Methods such as CATS, Feature Trees, Feature Point
Pharmacophores (FEPOPS), and SkelGen are discussed among many
others. The final part contains three fully documented real-world
examples of successful drug development projects by scaffold
hopping that illustrate the benefits of the approach for medicinal
chemistry. While most of the case studies are taken from medicinal
chemistry, chemical and structural biologists will also benefit
greatly from the insights presented here.
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