A review of molecular representation in the age of machine learning

Research in chemistry increasingly requires interdisciplinary work prompted by, among other things, advances in computing, machine learning, and artificial intelligence. Everyone working with molecules, whether chemist or not, needs an understanding of the representation of molecules in a machine‐re...

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Veröffentlicht in:	Wiley interdisciplinary reviews. Computational molecular science Jg. 12; H. 5; S. e1603 - n/a
Hauptverfasser:	Wigh, Daniel S., Goodman, Jonathan M., Lapkin, Alexei A.
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	Hoboken, USA Wiley Periodicals, Inc 01.09.2022 Wiley Subscription Services, Inc
Schlagworte:	Accessibility Artificial intelligence chemoinformatics Computation Computational chemistry Computer applications fingerprints Learning algorithms Machine learning molecular representation Navigation Representations variational autoencoder
ISSN:	1759-0876, 1759-0884
Online-Zugang:	Volltext
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