Comparison of SMILES and molecular graphs as the representation of the molecular structure for QSAR analysis for mutagenic potential of polyaromatic amines

Published 2011 View Full Article

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Title
Comparison of SMILES and molecular graphs as the representation of the molecular structure for QSAR analysis for mutagenic potential of polyaromatic amines
Authors
Keywords
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Journal
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
Volume 109, Issue 1, Pages 94-100
Publisher
Elsevier BV
Online
2011-08-07
DOI
10.1016/j.chemolab.2011.07.008

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