Supporting Information for "Machine Learning interpretation of the correlation between infrared emission features of interstellar polycyclic aromatic hydrocarbons"

This is the supporting information for the article "Machine Learning interpretation of the correlation between infrared emission features of interstellar polycyclic aromatic hydrocarbons". It contains: In Supporting_Information.pdf: 1. A map of the correlation between descriptors. 2. A spectral distribution. 3. An explanation of the file example_code.zip. In example_code.zip: An example code of a machine learning model based on ECFP and corresponding input files.

Keywords

Machine learning, Infrared spectroscopy, Polycyclic aromatic hydrocarbons, Interstellar molecules,

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