Published November 29, 2022
| Version 05.6
Dataset
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Dataset - Papyrus - A large scale curated dataset aimed at bioactivity predictions
Creators
Contributors
Data curator:
Related persons:
Researcher:
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Description
This repository contains version 05.6 of the Papyrus dataset, an aggregated dataset of small molecule bioactivities, as described in the preprint "Papyrus - A large scale curated dataset aimed at bioactivity predictions".
Changes compared to version 05.5
- applied small molecule filter that filters out compounds with a MW < 200 or > 800, heavy metal containing compounds and mixtures
- include TID column which contains information on the original protein identifier
Files
05.6_additional_files.zip
Files
(13.3 GB)
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md5:b22c0b063c2502088389ff9658cc9397
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md5:4d647397b89b3da1690283b508e5e002
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md5:102908a632d132c2ee28da2a16bf67d9
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500.1 MB | Download |
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711.5 MB | Download |
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md5:536983256a3ad5ac45822eacc63acc6f
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Additional details
Related works
- Is cited by
- Preprint: 10.26434/chemrxiv-2021-1rxhk (DOI)
- Is described by
- Presentation: 10.5281/zenodo.6771177 (DOI)
- Is new version of
- Dataset: 10.5281/zenodo.7019874 (DOI)
- Dataset: 10.4121/16896406.v3 (DOI)