Journal
MUTATION RESEARCH-FUNDAMENTAL AND MOLECULAR MECHANISMS OF MUTAGENESIS
Volume 691, Issue 1-2, Pages 27-40Publisher
ELSEVIER
DOI: 10.1016/j.mrfmmm.2010.06.009
Keywords
Cancer; Structure-activity; Modeling; Carcinogenic potency; Prediction
Funding
- EU [037017, 200787]
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In previous investigations, we have developed Quantitative Structure-Activity Relationships (QSAR) models for a series of aromatic amines based on well defined physicochemical descriptors: these QSARs were aimed at: (a) describing the modulation of the carcinogenic potency among the active ones only; and (b) modeling the separation between carcinogens and non-carcinogens. In this analysis based on a larger range of chemicals, we checked and confirmed the validity and robustness of the previous models. Since the identification of high potency carcinogens (which pose the highest risk to human health) is particularly relevant to risk assessment, we also established a new QSAR model that points directly to aromatic amines likely to have high carcinogenic potency. (C) 2010 Elsevier B.V. All rights reserved.
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