Structure-property Based Model for Alkanes Boiling Points
نویسنده
چکیده
This study discusses the abilities of the family of molecular descriptors on the structure-property relationships (MDFSPR) approach in modelling of the alkanes boiling points based on chemical structure information. All alkanes from C3 to C9 were included in the analysis. A MDFSPR model with two descriptors, were constructed. The MDF SPR model was validated, and its correlation coefficient was compared with the best previously reported model. The results of this study revealed that the MDF SPR approach is a useful method to model the boiling points of alkanes, providing valid and stable models.
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