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Sometimes endpoints related to nano phenomena are mathematical function of "traditional" molecules. In such case, the nano-QSPR/QSAR are factually "traditional" QSPR/QSAR.

Quasi- SMILES and nano QSAR/nanoQSPR

Sometimes endpoints related to nano phenomena (particles, nanomaterials, peptides) are not a mathematical function of solely "traditional" molecules, i.e. physicochemical, biochemical, and other special "nano" conditions should be taken into account. This can be done via quasi-SMILES. The quasi-SMILES is "traditional" SMILES extended by special codes which reflect the above conditions.

Index of Ideality of Correlation (IIC)

Index of ideality of correlation (IIC) is a new criterion of the predictive potential for QSPR/QSAR as well as for nano-QSPR/QSAR. It is to be noted the improve statistical quality of a model for calibration set to the detriment of the training set. In other words, IIC factually blocks "famous phenomenon" that is named the overtraining.