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a neural networks model for accurate prediction of the flash point of chemical compounds
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نویسنده
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mirshahvalad hamidreza ,ghasemiasl ramin ,raufi nahid ,malekzadeh dirin mehrdad
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منبع
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iranian journal of chemistry and chemical engineering - 2020 - دوره : 39 - شماره : 4 - صفحه:297 -304
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چکیده
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Flash point is one of the most important flammability characteristics of chemical compounds. in the present study, we developed a neural network model for accurate prediction of the flash point of chemical compounds, using the number of hydrogen and carbon atoms, critical temperature, normal boiling point, acentric factor and enthalpy of formation as model inputs. using a robust strategy to efficiently assign neural network parameters and evaluate the authentic performance of the neural networks, we could achieve an accurate model which yielded average absolute relative errors of 0. 97, 0. 96, 0.99 and 1.0% and correlation coefficients of 0.9984, 0.9985, 0.9981 and 0.9979 for the overall, training, validation and test sets, respectively. these results are among the most accurate ever reported ones, to date.
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کلیدواژه
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flash point; predictive models; neural networks; qspr; group contribution method
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آدرس
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islamic azad university, west tehran branch, department of mechanical engineering, iran, islamic azad university, west tehran branch, department of mechanical engineering, iran, islamic azad university, south tehran branch, department of chemical engineering, iran, islamic azad university, west tehran branch, department of mechanical engineering, iran
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پست الکترونیکی
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malekdirin@yahoo.com
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Authors
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