Prediction of Standard Enthalpy of Combustion of Pure Compounds Using a Very Accurate Group-Contribution-Based Method
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https://figshare.com/articles/dataset/Prediction_of_Standard_Enthalpy_of_Combustion_of_Pure_Compounds_Using_a_Very_Accurate_Group_Contribution_Based_Method/2016117
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资源简介：
The artificial neural network–group contribution (ANN–GC) method is applied to estimate the standard enthalpy of combustion of pure chemical compounds. A total of 4590 pure compounds from various chemical families are investigated to propose a comprehensive and predictive model. The obtained results show the squared correlation coefficient (R2) of 0.999 99, root mean square error of 12.57 kJ/mol, and average absolute deviation lower than 0.16% for the estimated properties from existing experimental values.
创建时间：
2015-12-16
