Laboratory of Environmental Chemistry and Toxicology, Department of Environmental Health Science, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via La Masa 19, 20156 Milano, Italy.
Laboratory of Environmental Chemistry and Toxicology, Department of Environmental Health Science, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via La Masa 19, 20156 Milano, Italy.
Sci Total Environ. 2019 Sep 1;681:102-109. doi: 10.1016/j.scitotenv.2019.05.114. Epub 2019 May 10.
The interpretation of the mutagenic potential of silver nanoparticles as a mathematical function of (i) dose; (ii) coating; and (iii) type of mutagenicity (TA98 and TA100) gives quantitative models with good statistical quality. So-called quasi-SMILES are used to represent examined objects (silver nanoparticles under different conditions) for building up models. Simplified molecular input-line entry systems (SMILES) is a well-known sequence of symbols for representation of the molecular structure. Quasi-SMILES is a similar sequence of symbols for representation of experimental conditions. The Correlation Contradiction Index (CCI) calculated with data on the calibration set gives possibility to predict quality of correlation of "experimental vs. calculated values of endpoint" for external validation set.
将银纳米粒子的诱变潜力解释为（i）剂量；（ii）涂层；和（iii）诱变类型（TA98 和 TA100）的数学函数，给出了具有良好统计质量的定量模型。所谓的准 SMILES 用于表示被检查的对象（不同条件下的银纳米粒子），以建立模型。简化分子输入行进入系统 (SMILES) 是一种众所周知的符号序列，用于表示分子结构。准 SMILES 是表示实验条件的类似符号序列。用校准集上的数据计算出的相关矛盾指数 (CCI) 可用于预测外部验证集上“实验与计算终点值的相关性”的相关性质量。
