File:Fig6 Terlouw JofCheminfo22 14.png
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Summary
| Description |
Fig. 6 Substructure matching with PIKAChU. (a) From left to right: examples of highlighting a single instance of a substructure, all instances of a substructure, or all instances of multiple substructures. In the example, occurrences of aspartic acid and tryptophan were searched in the superstructure daptomycin. The code used to generate the images is displayed underneath the panels. (b) PIKAChU’s substructure matching algorithm using to visualize all amino acid components of the antibiotics daptomycin (left) and vancomycin (right). Code can be found at GitHub. |
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| 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. |
| Permission (Reusing this file) |
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| Other versions |
Licensing
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This work is licensed under the Creative Commons Attribution 4.0 License. |
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| current | 18:37, 23 August 2022 | | 1,865 × 1,962 (841 KB) | Shawndouglas (talk | contribs) |
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