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Table 3 Ames test results and ddE of compounds with ring opening remarks

From: Local QSAR based on quantum chemistry calculations for the stability of nitrenium ions to reduce false positive outcomes from standard QSAR systems for the mutagenicity of primary aromatic amines

 

ddE value

Ames test

Total

  

Positive

Negative

 

ddE value

 ≤ -5 kcal/mol

5

35

40

 > -5 kcal/mol

1

10

11

Total

 

6

45

51

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Genes and Environment

ISSN: 1880-7062

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