Published September 2024
| Version 2024.1
Dataset
Open
Dataset - Papyrus 2024 - A large scale curated dataset aimed at bioactivity predictions
Authors/Creators
-
1.
Leiden University
Contributors
Researcher (2):
Supervisor (3):
-
1.
Leiden University
Description
Changes since version 05.6
- ChEMBL data was updated to ChEMBL version 34
- data from the IUPHAR/BPS Guide to PHARMACOLOGY has been included
- data from Pickett et al.'s publication on MMP-12 has been included (ACS Med Chem Lett. 2011 Jan 13; 2(1): 28–33. DOI: 10.1021/ml100191f)
Papyrus++:
Previous versions mistakenly considered a deviation of 2 log units around compound-target pairs to determine the reproducibility of assays (see published article for more details). This has been fixed to 0.5 log units to ensure data points fall within a maximum range of 1 log unit. As a result, the number of entries in the Papyrus++ set from this release has drastically reduced compared to previous releases.
Files
05.7_additional_files.zip
Files
(13.7 GB)
| Name | Size | |
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md5:e7dec8f301286de2bbc3c7171eefd642
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57.3 MB | Download |
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md5:660f4b7d6a28aea1cfa6162491e5e3a9
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114.0 kB | Preview Download |
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md5:e9fbe5e489da1b0af51b2ad60cce1a98
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2.2 GB | Download |
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md5:ce281ac7f2f95e17f5a624556504436c
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100.3 MB | Download |
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md5:311ed76b8c38a859d475109105035748
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1.5 GB | Download |
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md5:07dd9d0c4668950625a87bb3d42a6c35
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3.2 GB | Download |
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md5:14618e4c3f0392b48303e55ab37c6992
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457.2 MB | Download |
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md5:adcf7036143533b9dd77729572262dd6
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121.3 MB | Download |
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md5:6153e83722820936193eccece019f419
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3.4 GB | Download |
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md5:cfa62487e9220ba7d42048d38ad0c0fa
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519.8 MB | Download |
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md5:0975f3cbbe2d3b4fff28f7afe6ed2100
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434.7 MB | Download |
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md5:70060e2a26b94797510eb7c11b0ac3b2
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209.8 MB | Download |
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md5:f30da9ae53a50c454477cf96fcdfbbe8
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1.8 MB | Download |
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md5:9f187151c9f6880e155442d5c8ec6ee6
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715.8 MB | Download |
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md5:6e01561e220e82827e712bd81742bd3c
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749.5 MB | Download |
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md5:0352908c2a341a8284a96d62a4b7674a
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12.8 kB | Preview Download |
Additional details
Related works
- Is described by
- Journal article: 10.1186/s13321-022-00672-x (DOI)
- Is new version of
- Dataset: 10.5281/zenodo.7821775 (DOI)