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An Introduction to Chemoinformatics by Andrew R. Leach

An Introduction to Chemoinformatics

by Andrew R. Leach
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Book cover type: Paperback
  • ISBN13: 9781402062902
  • Binding: Paperback
  • Subject: N/A
  • Publisher: Springer
  • Publisher Imprint: Springer
  • Publication Date:
  • Pages: 255
  • Original Price: EUR 84.99
  • Language: English
  • Edition: Revised
  • Item Weight: 415 grams
  • BISAC Subject(s): Pharmacy and Chemistry / Physical & Theoretical

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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