Many hundreds of MD are available by the means of commercial and open-source software . Various types of MD and their use in QSRR in GC-MS are reviewed in Ref. . Diverse machine learning methods (such as support vector machines , gradient boosting , neural networks ) are used for QSRR. But the most often used are the linear regression methods . Various feature selection approaches can be used in quantitative structure-property research (in particular in QSRR) . Feature selection is especially important when an interpretable model with chemical meaning is required.