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Phylogeny-aware chemoinformatic analysis of iridoids chemical diversity in the Lamiaceae.
Phylogeny-aware chemoinformatic analysis of iridoids chemical diversity in the Lamiaceae.
Mar 9, 2022
Rodriguez-Lopez, Carlos, 2022, "Phylogeny-aware chemoinformatic analysis of iridoids chemical diversity in the Lamiaceae.", https://doi.org/10.17617/3.8M, Edmond, V1
Raw data and code to reproduce results presented in: Phylogeny-aware chemoinformatic analysis of chemical diversity in the Lamiaceae enables iridoid pathway assembly and discovery of aucubin synthase.
1_Evaluating_Surrogates.r
Mar 9, 2022 - Phylogeny-aware chemoinformatic analysis of iridoids chemical diversity in the Lamiaceae.
text/x-rsrc - 46.3 KB - MD5: 51a8708ff7dd0da2edf2c0f9e56a583a
1_Generating_Multiverse_pathways.r
Mar 9, 2022 - Phylogeny-aware chemoinformatic analysis of iridoids chemical diversity in the Lamiaceae.
text/x-rsrc - 33.0 KB - MD5: 066409fdf126334c393fb431e316c8ff
2_Choosing_Best_Parameters.r
Mar 9, 2022 - Phylogeny-aware chemoinformatic analysis of iridoids chemical diversity in the Lamiaceae.
text/x-rsrc - 31.3 KB - MD5: ecbf172ab60e1d5a8d7d527aa497efd4
2_From_metrics_to_UMAP_selection.r
Mar 9, 2022 - Phylogeny-aware chemoinformatic analysis of iridoids chemical diversity in the Lamiaceae.
text/x-rsrc - 17.2 KB - MD5: f1e7806af5d3a66b5c01b8129e98a874
all_metrics.RData
Mar 9, 2022 - Phylogeny-aware chemoinformatic analysis of iridoids chemical diversity in the Lamiaceae.
Gzip Archive - 1.3 GB - MD5: 4d743f32fbb1c495ff8d3eee91520fb6
Aucubin_50pmol.mzXML
Mar 9, 2022 - Phylogeny-aware chemoinformatic analysis of iridoids chemical diversity in the Lamiaceae.
XML - 28.2 MB - MD5: 9607649df9f4bab8baa4cd596ede1fe7
Bartsioside_50pmol.mzXML
Mar 9, 2022 - Phylogeny-aware chemoinformatic analysis of iridoids chemical diversity in the Lamiaceae.
XML - 16.4 MB - MD5: bc3d326a995721a4958e2dec41a78876
Biosynthesis.csv
Mar 9, 2022 - Phylogeny-aware chemoinformatic analysis of iridoids chemical diversity in the Lamiaceae.
Comma Separated Values - 3.9 KB - MD5: a536aac678ca0c7386b133c3a98adcd2
CAAM_all_annotation.csv
Mar 9, 2022 - Phylogeny-aware chemoinformatic analysis of iridoids chemical diversity in the Lamiaceae.
Comma Separated Values - 20.0 MB - MD5: 927994225b2644ee7c958acc6df8658e
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