Published September 20, 2024
| Version v4
Dataset
Open
Dataset - Papyrus - A large scale curated dataset aimed at bioactivity predictions
Authors/Creators
Contributors
Data curator:
Related person (2):
Researcher (2):
Supervisor (2):
Description
Fixed version of additional_files:
- In the previous version of 05.6_additional_files the data type of some descriptors was assigned incorrectly
- In this fixed version data types are correct
This repository contains version 05.6 of the Papyrus dataset, an aggregated dataset of small molecule bioactivities, as described in the article "Papyrus - A large scale curated dataset aimed at bioactivity predictions" doi.org/10.1186/s13321-022-00672-x.
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:bf66a2cc289a87115c95ac043cffd557
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31.1 MB | Download |
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md5:bc670be26294bcec7018b429f13d1a0e
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47.5 kB | Preview Download |
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md5:fcedda2800c6c9d8fd606b0e1d4525c4
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2.1 GB | Download |
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md5:4d647397b89b3da1690283b508e5e002
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96.6 MB | Download |
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md5:2c0c6062377ff53f9bbb7f5c23d8fc9f
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1.5 GB | Download |
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md5:18c63cf83eab57c85228851c931a74b5
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3.1 GB | Download |
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md5:102908a632d132c2ee28da2a16bf67d9
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439.8 MB | Download |
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md5:f4bdd3889a31fb9b31915f2f14dc59a7
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117.1 MB | Download |
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md5:43a5ae43bbea9fa53f61bddf14afcc45
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3.3 GB | Download |
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md5:7edb808331eda39be4cfff73675e8d28
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500.1 MB | Download |
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md5:27e4ffbb999e1d20c5cb852c97b1f0a1
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447.8 MB | Download |
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md5:0d4c234b0b4955fb7ff665611341b366
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207.1 MB | Download |
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md5:b0f62a23923a4741d651811818fc94ac
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1.9 MB | Download |
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md5:31bc7c86adc7ff3c35a18a0b79397440
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711.5 MB | Download |
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md5:536983256a3ad5ac45822eacc63acc6f
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744.4 MB | Download |
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md5:b75d37e2c813fb8b3df73e33feb31097
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12.8 kB | Preview Download |
Additional details
Related works
- Is cited by
- Preprint: 10.26434/chemrxiv-2021-1rxhk (DOI)
- Is described by
- Presentation: 10.5281/zenodo.6771177 (DOI)
- Journal article: 10.1186/s13321-022-00672-x (DOI)
- Is new version of
- Dataset: 10.5281/zenodo.7019874 (DOI)
- Dataset: 10.4121/16896406.v3 (DOI)