Abstract
The large number of quantitative structure-property/activity relationships (QSPRs/QSARs) for nanomaterials were published. Majority of these are latent traditional QSPR/QSAR in spite of labels such as “nano-QSPR” or “nano-QSAR”. Traditional QSPR/QSAR are calculated with molecular descriptors. In the case of nanomaterials, the molecular descriptors are unavailable or poorly suitable for the QSPR/QSAR analysis. The CORAL software gives possibility to build up QSPR/QSAR models using simplified molecular input-line entry-system (SMILES). Recently, the quasi-SMILES were suggested as an alternative for the traditional SMILES. In this work, quasi-SMILES are used to build up united model for solubility of fullerenes C60 and C70 in organic solvents.
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