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Hi,
we are using some dependencies, and should acknowledge the main (scientific) ones in the About pages:
If you use matchms in your research, please cite the following software papers:
F Huber, S. Verhoeven, C. Meijer, H. Spreeuw, E. M. Villanueva Castilla, C. Geng, J.J.J. van der Hooft, S. Rogers, A. Belloum, F. Diblen, J.H. Spaaks, (2020). matchms - processing and similarity evaluation of mass spectrometry data. Journal of Open Source Software, 5(52), 2411, https://doi.org/10.21105/joss.02411
Re CDK, the latest article seems to be:
Willighagen et al. The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching. J. Cheminform. 2017; 9(3), doi:10.1186/s13321-017-0220-4
Hi,
we are using some dependencies, and should acknowledge the main (scientific) ones in the About pages:
If you use matchms in your research, please cite the following software papers:
F Huber, S. Verhoeven, C. Meijer, H. Spreeuw, E. M. Villanueva Castilla, C. Geng, J.J.J. van der Hooft, S. Rogers, A. Belloum, F. Diblen, J.H. Spaaks, (2020). matchms - processing and similarity evaluation of mass spectrometry data. Journal of Open Source Software, 5(52), 2411, https://doi.org/10.21105/joss.02411
de Jonge NF, Hecht H, Michael Strobel, Mingxun Wang, van der Hooft JJJ, Huber F. (2024). Reproducible MS/MS library cleaning pipeline in matchms. Journal of Cheminformatics, 2024, https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00878-1
Any components from Zakodium.
CDK / cdkdepict ?
Yours,
Steffen
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