An Introduction To Chemoinformatics

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 chemoinf...

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Hlavní autoři: Leach, Andrew R., Gillet, Valerie J. (Autor)
Médium: Livre numérique
Jazyk:Anglais
Vydáno: Dordrecht : Springer Netherlands : Springer e-books 2007.
Cham : Springer Nature
Vydání:Revised edition.
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Poznámka: Archives Springer e-books (Licence nationale)
Archives Springer e-books (Licence nationale)
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Edition sous un autre format:• An introduction to chemoinformatics, by Andrew R. Leach,... and Valerie J. Gillet,..., revised edition, 2007, Dordrecht, Springer, 1 vol. (XV-255 p.), 978-1-4020-6290-2
Obsah:
  • Representation And Manipulation Of 2D Molecular Structures Representation And Manipulation Of 3d Molecular Structures Molecular Descriptors Computational Models Similarity Methods Selecting Diverse Sets Of Compounds Analysis Of High-Throughput Screening Data Virtual Screening Combinatorial Chemistry And Library Design