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:
    title: Machine learning in chemistry
    sub title: data-driven algorithms, learning systems, and predictions
  name:
    name part: Pyzer-Knapp, Edward O.
    affiliation: IBM Research—UK , Daresbury, UK.
    role:
      role term: editor.
  name:
    name part: Laino, Teodoro
    affiliation: IBM Research—Zurich, Rueschlikon, Switzerland.
    role:
      role term: editor.
  name:
    name part: American Chemical Society
    name part: Division of Computers in Chemistry,
    role:
      role term: sponsoring body.
  type of resource: text
  genre: bibliography
  genre: conference publication
  genre: Electronic books.
  genre: COMPUTERS / Data Science / Machine Learning.
  origin info:
    place:
      place term: dcu
    date issued: 2019
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: remote
    extent: 1 online resource (139 pages) : illustrations.
  table of contents: Atomic-Scale Representation and Statistical Learning of Tensorial Properties / Grisafi, Andrea; Wilkins, David M.; Willatt, Michael J.; Ceriotti, Michele / Prediction of Mohs Hardness with Machine Learning Methods Using Compositional Features / Garnett, Joy C. / High-Dimensional Neural Network Potentials for Atomistic Simulations / Hellström, Matti, Software for Chemistry & Materials BV, De Boelelaan 1083, 1081HV Amsterdam, The Netherlands; Behler, Jörg, Universität Göttingen, Institut für Physikalische Chemie, Theoretische Chemie, Tammannstrasse 6, 37077 Göttingen, Germany / Data-Driven Learning Systems for Chemical Reaction Prediction: An Analysis of Recent Approaches / Schwaller, Philippe, IBM Research – Zurich, Rueschlikon 8803, Switzerland, Department of Chemistry and Biochemistry, University of Berne, Berne 3012, Switzerland; Laino, Teodoro, IBM Research – Zurich, Rueschlikon 8803, Switzerland / Using Machine Learning To Inform Decisions in Drug Discovery: An Industry Perspective / Green, Darren V. S. / Cognitive Materials Discovery and Onset of the 5th Discovery Paradigm / Zubarev, Dmitry Y.; Pitera, Jed W. / Editors’ Biographies /
  note: Edward O. Pyzer-Knapp, editor, Teodoro Laino, editor ; sponsored by the ACS Division of Computers in Chemistry.
  note: Distributed in print by Oxford University Press.
  note: Includes bibliographical references and index.
  subject:
    topic: Machine learning
  subject:
    topic: Chemisty
    topic: Computer programs
  subject:
    topic: Chemistry
    topic: Computer simulation
  subject:
    topic: Statistical hypothesis testing
    topic: Computer programs
  subject:
    topic: Chemistry
    topic: Statistical methods
    topic: Computer programs
  subject:
    topic: Chemistry
    topic: Molecular aspects
    topic: Statistical methods
    topic: Computer programs
  subject:
    topic: Hardness
    topic: Forecasting
    topic: Computer programs
  subject:
    topic: Neural networks (Computer science)
  subject:
    topic: Chemical reactions
    topic: Forecasting
    topic: Computer simulation
  subject:
    topic: Drugs
    topic: Research
    topic: Computer simulation
  subject:
    topic: Paradigm (Theory of knowledge)
    topic: Computer simulation
  subject:
    topic: Learning by discovery
    topic: Computer simulation
  subject:
    topic: Machine Learning
  subject:
    topic: Chemistry
    topic: education
  subject:
    topic: Statistics as Topic
  subject:
    topic: Hardness
  subject:
    topic: Neural Networks, Computer
  subject:
    topic: Pharmaceutical Preparations
    topic: analysis
  subject:
    topic: Computer Simulation
  subject:
    topic: SCIENCE / Chemistry / Computational & Molecular Modeling
  classification: Q325.5 .M33 2019
  classification: 006.3/1
  classification: Q 325.5 M149 2019
  classification: COM094000 SCI013070
  related item:
    identifier: (DLC) 2019048154
  related item:
    title info:
      title: ACS symposium series ; 1326
  identifier: 9780841235045
  identifier: http://proxy.library.tamu.edu/login
  record info:
    record content source: NjRocCCS
    record creation date: 191209
    record change date: 20211209153557.0
    record identifier: in00004401608
    language of cataloging:
      language term: eng