Introduction to Chemoinformatics

Name: Introduction to Chemoinformatics
Brand: Springer-Verlag New York Inc.
SKU: 9781402013478
Price: 647.87 RON
Availability: InStock

Autor: Andrew R. Leach, Valerie J. Gillet

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Legare: Copertă tare

Editura: Springer-Verlag New York Inc.

Disponibilitate: În depozitul extern

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Chemoinformatics draws upon techniques from many disciplines including computer science, mathematics...

Informații despre carte

Autor

Andrew R. Leach, Valerie J. Gillet

Limbă

engleză

Legare

Carte - Copertă tare

Publicat

2003

Pagini

255

EAN

9781402013478

ISBN

1402013477

Enbook ID

01415256

Editura

Springer-Verlag New York Inc.

Greutate

550

Dimensiuni

166 x 242 x 22

Descriere completă

Chemoinformatics draws upon techniques from many disciplines including computer science, mathematics, computational chemistry and data visualisation to tackle these problems. §This, the first text written specifically for this field, aims to provide an introduction to the major techniques of chemoinformatics. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. The second part describes other important topics including molecular similarity and diversity, the analysis of large data sets, virtual screening, and library design. Simple illustrative examples are used throughout to illustrate key concepts, supplemented with case studies from the literature. §The book is aimed at graduate students, final-year undergraduates, and professional scientists. No prior knowledge is assumed other than a familiarity with chemistry and some basic mathematical concepts.

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