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Summary

Description

Fig. 1 Overview of the internal structure of PIKAChU's structure graphs. This example uses L-alanine, a small amino acid. The four bottom boxes in grey indicate attributes for each of PIKAChU's major classes: Structure, Atom, Bond, and Electron.

Source

Terlouw, B.R.; Vromans, Sophie P.J.M.; Medema, M.H. (2022). "PIKAChU: A Python-based informatics kit for analyzing chemical units". Journal of Cheminformatics 14: 34. doi:10.1186/s13321-022-00616-5. 

Date

2022

Author

Terlouw, B.R.; Vromans, Sophie P.J.M.; Medema, M.H.

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Creative Commons Attribution 4.0 International

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