Dashti, Amir published the artcileQuantitative structure property relationship schemes for estimation of autoignition temperatures of organic compounds, Synthetic Route of 122-20-3, the publication is Journal of Molecular Liquids (2020), 111797, database is CAplus.
We have extended a quant. structure-property relationship (QSPR) scheme to estimate the auto-ignition temperatures (AIT) of organic compounds by employing GA-ANFIS, PSO-ANFIS, DE-ANFIS and GP methods. The average absolute relative deviations (%AARD) are 7.96, 6.29, 8.85 and 8.26, resp. The range of these values appears to match that of exptl. error in AIT measurements, suggesting strong models. For organic compounds, the AIT can be estimated using the above-mentioned methods, from mol. structure. This goal is possible using only 9 theor. descriptors.
Journal of Molecular Liquids published new progress about 122-20-3. 122-20-3 belongs to alcohols-buliding-blocks, auxiliary class Organic Pigment, name is Triisopropanolamine, and the molecular formula is C9H21NO3, Synthetic Route of 122-20-3.
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