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Chemoinformatics Approaches for Chemical Space Issues

Name: Chemoinformatics Approaches for Chemical Space Issues
Brand: LAP Lambert Academic Publishing
SKU: 9786202021135
Price: 1193 CZK
Availability: InStock

Autor: Mohammed Hussein Shukur

Jazyk:

Vazba: Brožovaná

Vydavatel: LAP Lambert Academic Publishing

Dostupnost: U nakladatele na objednávku

Odesíláme za 17-27 dnů

1 193 Kč

Chemoinformatics is an interface science aimed primarily at discovering novel chemical entities that...

Informace o knize

Autor

Mohammed Hussein Shukur

Jazyk

Angličtina

Vazba

Kniha - Brožovaná

Vydáno

2017

Stránek

116

EAN

9786202021135

Enbook ID

18254830

Vydavatel

LAP Lambert Academic Publishing

Rozměry

150 x 220

Kompletní popis

Chemoinformatics is an interface science aimed primarily at discovering novel chemical entities that will ultimately result in the development of novel treatments for diseases. Most of Chemoinformatics methods depend on the generation of chemical spaces into which molecular descriptor data sets are projected and where analysis or design is carried out. It is necessary to reduce such huge chemical space to a small manageable subspace so that a chemist or a druggist can accelerate his research effectively. So the problem of reducing the size of a chemical space of millions of molecules is an important task for virtual screening in drug discovery. Usually chemical compounds are described by three main categories of chemical descriptors, namely; 2Dimensional features, 3Dimensional features, Electro topological state (Estate) attributes. The total number of such descriptors is very large; of the order of 769 descriptors. The present study deals with three challenges, the first challenge is to reduce the descriptor space significantly but at the same time retain the features of chemical space such as diversity, coverage, etc. The second challenge is to design meaningful low-dimensional

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Chemoinformatics Approaches for Chemical Space Issues

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