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Theoretical and Computational Chemistry Series
Knowledge-based Expert Systems in Chemistry: Artificial Intelligence in Decision Making
Hardback ISBN:
978-1-78801-471-7
PDF ISBN:
978-1-78801-618-6
EPUB ISBN:
978-1-78801-742-8
Special Collection:
2019 ebook collection
No. of Pages:
284
Publication date:
07 Feb 2019
Book Chapter
Chapter 13: The 2D–3D Debate
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Published:07 Feb 2019
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Special Collection: 2019 ebook collection
Citation
Knowledge-based Expert Systems in Chemistry: Artificial Intelligence in Decision Making, The Royal Society of Chemistry, 2nd edn, 2019, ch. 13, pp. 158-166.
Download citation file:
Most of the programs described in this book use graph representations of chemical structures (i.e. chemical structural diagrams) for communication and computation. The reasons for this, and the relative merits of using graphs versus using 3D spacial representations of structures are discussed.
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