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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: 258.72 RON
Availability: InStock

Autor: Mohammed Hussein Shukur

Limbă:

Legare: Carte broșată

Editura: LAP Lambert Academic Publishing

Disponibilitate: La editor doar la comandă

Expediem în 17-27 zile

258.72 lei

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

Informații despre carte

Autor

Mohammed Hussein Shukur

Limbă

engleză

Legare

Carte - Carte broșată

Publicat

2017

Pagini

116

EAN

9786202021135

Enbook ID

18254830

Editura

LAP Lambert Academic Publishing

Dimensiuni

150 x 220

Descriere completă

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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