QSPR study for prediction of boiling points of 2475 organic compounds using stochastic gradient boosting
Author:
Affiliation:
1. School of Mathematics and Statistics; Central South University; Changsha 410083 China
2. Department of Statistics and Financial Mathematics; Hunan Normal University; Changsha 410081 China
Publisher
Wiley
Subject
Applied Mathematics,Analytical Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/cem.2587/fullpdf
Reference37 articles.
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3. Prediction of boiling points of ketones using a quantitative structure-property relationship treatment;Komasa;Pol. J. Chem.,2003
4. QSPR models of boiling point, octanol-water partition coefficient and retention time index of polycyclic aromatic hydrocarbons;Ribeiro;Theochem.-J. Mol. Struct.,2003
5. QSPR using molgen-qspr: the challenge of fluoroalkane boiling points;Rucker;J. Chem. Inf. Model.,2005
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