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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 6: Structure Representation
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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. 6, pp. 64-83.
Download citation file:
Computer programs that make predictions about the properties of chemicals need ways of representing chemical structures for communication both with human users and with other programs. The main ones used are described.
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