Abstract
A reverse molecule contribution (reMC) - molecule contribution (MC) – Machine learning (ML) protocol for disassemble and reproduce the spectrum is presented. By splitting the mixture spectrum with monochromophoric spectra in the database in a “Peeling-Onion” manner, a new recipe can be obtained. Upon comparison of the reproduced spectrum (with the forward molecular contribution - machine learning method) with the original one, the reliability of the proposed method is justified.
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