Chemical Reaction Spectrum

23 October 2018, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


We proposed a new method of chemical reaction spectrum (CRS) in terms of chemical characterization, and established a method to fulfill it by combining with 3D chemical printing technology and 2D sampling. The CRS can provide a graphical data set for pure or mixed substances, which can comprehensively describe the reaction characteristics of the research object. Compared with common characterization methods (NMR, UV/vis, IR, Raman, GC or LC), it is more capable of revealing chemical behaviors enough, and is much lower in cost. It is expected to be an important data acquisition approach for the application of artificial intelligence in the field of chemistry in the future.


Chemical Reaction
Machine Learning
Big Data


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