**4. Conclusions**

Cheminformatics detailed in this chapter can be applied to the analysis of any type of polymeric materials by Py-GC/MS. The use of open access software to deconvolution of mass spectra streamlines the processing of the resulting data series for a large number of samples. The computational processing capacity of current equipment makes this technique suitable for any laboratory with a Py-GC/ MS equipment. In a few minutes a large number of samples can be processed: e.g., deconvolution, alignment and identification of compounds for 30 samples can take about 30 min. On the other hand, the interpretation of the results is greatly aided by the use of the chemometric techniques exemplified here. In addition, cheminformatics makes it possible to compare the mass spectra of the studied compounds, not only with commercial databases, but with other open access databases. Some of the open access databases contain relevant biological information about the compounds (e.g., the ontology of CheBI, MassBank, LipidBlast and GNPS). This is important in studies of materials (e.g., in the case of elements with carcinogenic potential), or of biological interest (e.g., in samples with antibacterial, antibiotic, or medicinal properties). There are currently a significant number of open access MS libraries. Actually, with the diversification of the application field for deconvolution software it is expected that the number of mass spectra in open access libraries will increase. Finally, studies like this leave open the possibility of knowing most of the chemical compounds that take part in the decomposition and secondary reactions during pyrolysis of polymeric materials.

### **Acknowledgements**

JR-R thanks to DGAPA, UNAM by the postdoctoral fellowship [Programa de becas posdoctorales en la UNAM; communiqué 113/2017] and to Facultad de Estudios Superiores Zaragoza, UNAM for supporting this work.

*Cheminformatics Applied to Analytical Pyrolysis of Lignocellulosic Materials DOI: http://dx.doi.org/10.5772/intechopen.100147*
