Benigni Romualdo, Bossa Cecilia, Alivernini Silvia, Colafranceschi Mauro
Istituto Superiore di Sanita', Health and Environment Department, Rome, Italy.
J Environ Sci Health C Environ Carcinog Ecotoxicol Rev. 2012;30(2):152-73. doi: 10.1080/10590501.2012.681486.
OncoLogic® is a software program able to screen chemical compounds for toxicological effects. The software predicts the potential carcinogenicity of chemicals by applying rules of structure activity relationship (SAR) analysis. To validate the predictivity of OncoLogic® (Version 7.0), 123 compounds tested with the long-term carcinogenicity bioassay on rodents were extracted from the ISSCAN database and were analyzed. The concordance between the OncoLogic® SAR analysis and the bioassay results was high. To better understand the strength of the SAR science in OncoLogic®, we investigated the influence of a select group of modulating factors on the predictions by the structural alerts.
OncoLogic®是一款能够筛选化合物毒理学效应的软件程序。该软件通过应用结构活性关系（SAR）分析规则来预测化学物质的潜在致癌性。为了验证OncoLogic®（版本7.0）的预测能力，从ISSCAN数据库中提取了123种经啮齿动物长期致癌性生物测定测试的化合物并进行分析。OncoLogic®的SAR分析与生物测定结果之间的一致性很高。为了更好地理解OncoLogic®中SAR科学的优势，我们研究了一组选定的调节因素对结构警报预测的影响。
