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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
Published online:
07 Feb 2019
Published in print:
15 Feb 2019
Book Chapter
Chapter 15: Predicting Metabolism
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Published:07 Feb 2019
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Special Collection: 2019 ebook collection
Page range:
194 - 210
Citation
Knowledge-based Expert Systems in Chemistry: Artificial Intelligence in Decision Making, The Royal Society of Chemistry, 2nd edn, 2019, ch. 15, pp. 194-210.
Download citation file:
Predicting the metabolism of chemicals by computer is as challenging as designing synthesis plans. Programs are described that predict the primary sites of metabolic attack in a query molecule and that predict complete metabolic trees.
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