Biosynfoni - data used for classification and biosynthetic distance performance experiments

Nollen, Lucina-May; van der Hooft, Justin; Sorokina, Maria; Meijer, David

doi:10.5281/zenodo.14791205

Published February 2, 2025 | Version 1.0.0

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Biosynfoni - data used for classification and biosynthetic distance performance experiments

1. Wageningen University & Research
2. Bayer AG

Data not separately publicly available and foundational to conclusions in the experiments accompanying Biosynfoni. Includes the natural product classes and biosynthetic reaction chains.

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README.md

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biosynthetic_chains_smiles.tsv md5:5fe6d319ed122c1a408fb0272e98cc94	334.0 kB	Download
ChEBI_3star_classifications.tsv md5:c6bf6d49d8d5edc6d3dee8c7841308e6	3.9 MB	Download
README.md md5:5453e2cc2dd32a17572252227f15ec96	539 Bytes	Preview Download

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Zenodo

License: Creative Commons Attribution 4.0 International

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Created: February 2, 2025
Modified: February 2, 2025

Biosynfoni - data used for classification and biosynthetic distance performance experiments

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Files

README.md

Files (4.3 MB)