Machine learning prediction of UV–Vis spectra features of organic compounds related to photoreactive potential
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DOI: 10.1038/s41598-021-03070-9
Abstract: Machine learning (ML) algorithms were explored for the classification of the UV–Vis absorption spectrum of organic molecules based on molecular descriptors and fingerprints generated from 2D chemical structures. Training and test data (~ 75 k molecules… read more here.
Keywords: prediction vis; learning prediction; machine learning; related photoreactive ... See more keywords