QSPR-modeling of melting temperatures has been performed for oligophenylenes of diverse structures and different molecular weights. It has been shown that optimization of correlation weights of graph local invariants can be used for prediction of melting points of oligomers. The best statistical quality of the model is observed for correlation weights calculated using third-order Morgan degrees.
- Melting point
ASJC Scopus subject areas
- Inorganic Chemistry
- Physical and Theoretical Chemistry