rdf-syntax-grammar
mods:
  schema location: http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-2.xsd
  title info:
    non sort: An
    title: Introduction To Chemoinformatics
  name:
    name part: Leach, Andrew R.
    role:
      role term: creator
    role:
      role term: author.
  name:
    name part: Gillet, Valerie J.
    role:
      role term: author.
  name:
    name part: SpringerLink (Online service)
  type of resource: text
  origin info:
    place:
      place term: ne
    date issued: 2007
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: electronic
    form: electronic resource
    reformatting quality: access
    form: remote
    extent: XV, 259 p. online resource.
  abstract: 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.
  table of contents: 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.
  note: by Andrew R. Leach, Valerie J. Gillet.
  subject:
    topic: Chemistry
  subject:
    topic: Pharmacy
  subject:
    topic: Chemoinformatics
  subject:
    topic: Chemistry, Physical and theoretical
  subject:
    topic: Chemistry
  subject:
    topic: Theoretical and Computational Chemistry
  subject:
    topic: Computer Applications in Chemistry
  subject:
    topic: Pharmacy
  classification: QD450-801
  classification: 541.2
  related item:
    title info:
      title: Springer eBooks
  identifier: 9781402062919
  identifier: http://dx.doi.org/10.1007/978-1-4020-6291-9
  record info:
    record creation date: 100301
    record change date: 20151204154641.0
    record identifier: 978-1-4020-6291-9