Two simple and reliable correlations are introduced for the prediction of emission and absorption of porphyrins and their derivatives, i.e. metalloporphyrins and ligand coordinated metalloporphyrins. They can be used to sense the extracted precious metals. The proposed models require only simple structural parameters such as the number of carbon, metal and metal-free molecular fragments of desirable porphyrins or their derivatives. Since the proposed models depend on molecular structures of the desired compounds, they can be easily applied for complex molecular structures. Experimental data of 272 porphyrin derivatives were used to derive and test the novel models for the assessment of their emission (Em.) and absorption (Abs.) values in three solvents namely dichloromethane, toluene and chloroform. The values of the coefficients of determination (r ²) for the training set (183 compounds) in dichloromethane and three different test sets, corresponding to the three mentioned solvents, for the emission and absorption correlations were greater than 0.70. The calculated values of the root-mean-square error (RMSE) for the training sets of Em. and Abs. correlations were equal to 7.56 and 4.86 nm, respectively. Further statistical parameters also confirm the high reliability of the new models.

引入了两个简单而可靠的相关性来预测卟啉及其衍生物（金属卟啉和配体配位的金属卟啉）的发射和吸收。它们可用于感测提取的贵金属。提出的模型仅需要简单的结构参数，例如所需卟啉或其衍生物的碳，金属和无金属分子片段的数量。由于建议的模型取决于所需化合物的分子结构，因此可以轻松地将其应用于复杂的分子结构。用272种卟啉衍生物的实验数据推导并测试了新模型的发射（Em。）和吸收（Abs）评估。。）在三种溶剂（二氯甲烷，甲苯和氯仿）中的值。训练组（​​183种化合物）在二氯甲烷中的发射系数和吸收系数的测定系数（r ²）的值分别对应于上述三种溶剂，分别对应于三种提及的溶剂。Em训练集的均方根误差（RMSE）的计算值。和Abs。相关分别等于7.56和4.86 nm。进一步的统计参数也证实了新模型的高度可靠性。