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Ideal symmetry method for 4D models: Application for QSPR studies of alkanes and alkylbenzenes

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Abstract

A concept of chemical structure representation as a four-dimensional model is described. The 4D descriptors calculated for such models lead to slightly improved correlation equations (compared to those for topological and 3D descriptors) for the boiling points of alkanes and alkylbenzenes.

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  1. “East Holding” Innovation Firm, Uzbekistan Republic

    A. A. Toropov

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  1. A. A. Toropov
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Toropov, A.A. Ideal symmetry method for 4D models: Application for QSPR studies of alkanes and alkylbenzenes. J Struct Chem 40, 456–460 (1999). https://doi.org/10.1007/BF02700645

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  • DOI: https://doi.org/10.1007/BF02700645

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