Proceedings of the Symposium on Chemoinformatics
24th Symposium on Chemical Information and Computer Sciences
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Oral Session
Research on the interpretation of Infrared or near-infrared spectra of polymers
*Mikio KaiharaNaoki AkiyamaAya ItouSatoshi Onodera
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CONFERENCE PROCEEDINGS FREE ACCESS

Pages J16

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Abstract

By using standard coals, we studied simple interpretation methods of infrared and near infrared spectra. In case of interpretation on taken spectra, we would like to know clear methods about how paying attention to where of spectra, what [ how many ] being known, quantitatively or qualitatively. For such purposes, we applied CART(Classifications and Regression trees) to find clear rules. Consequently, it turned out that some of the proximate and ultimate values of coals could be presumed using a comparatively easy rule. For example, although we found that the VM(volatile matter) was closely related to the moisture of coals, we might as well as reconsider the methods for both the examination methods. In this paper, we propse the simple interpretation method of spectra of coals.

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© 2001 The Chemical Society of Japan
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