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Use of Structure Descriptors To Discriminate between Modes of Toxic Action of Phenols

✍ Scribed by Spycher, Simon; Pellegrini, Eric; Gasteiger, Johann


Book ID
120710638
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
248 KB
Volume
45
Category
Article
ISSN
0095-2338

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Environmental contaminants with common mode of toxic action (MOA) are generally expected to have similar structures andyor physico-chemical properties. Calculated descriptors of lipophilic, electronic and steric properties were used to cluster 115 test chemicals by MOA into nine different toxicant c