2012
DOI: 10.1016/j.tca.2012.05.008
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Simple yet accurate prediction method for sublimation enthalpies of organic contaminants using their molecular structure

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Cited by 38 publications
(18 citation statements)
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“…Experimental versus predicted punching shear using the GP model for the whole data set. Bagheri et al [8] recommended that model prediction capabilities should be compared on the basis of relative error distribution. To that end, the absolute relative error (ARE) percentage is calculated as: …”
Section: Error Evaluationmentioning
confidence: 99%
“…Experimental versus predicted punching shear using the GP model for the whole data set. Bagheri et al [8] recommended that model prediction capabilities should be compared on the basis of relative error distribution. To that end, the absolute relative error (ARE) percentage is calculated as: …”
Section: Error Evaluationmentioning
confidence: 99%
“…Data were then randomly divided into training (85%) and testing (15%) data sets. Data division was repeated until the summary statistics (average, minimum, and maximum) of the training and testing data sets were similar [38,39]. Models were built using the training data set and evaluated using the test set, which was unseen during model development.…”
Section: Data Collection and Preprocessingmentioning
confidence: 99%
“…The higher the Q 2 LOO , the higher the predictive power of the model. The detailed description of this method can be found elsewhere (Jalali-Heravi et al, 2008;Bagheri et al, 2012).…”
Section: Internal Validationmentioning
confidence: 99%
“…Both processes are controlled primarily by moleculemolecule attractions in the condensed phase and are characterized by the amount of molecules in the vapour above the condensed phase. In other words, a compound will be liquid or a solid at a considered temperature if the forces between the molecules in the condensed phase are strong enough to overcome the tendency of the molecules to fly apart (Ivanciuc, 1999;Yao et al, 2001;Bagheri et al, 2012).…”
Section: Introductionmentioning
confidence: 99%