Published January 31, 2020
| Version 1.0.0
Dataset
Open
Machine learning meets pKa - Datasets
Authors/Creators
- 1. TU Dortmund University
- 2. Johannes Gutenberg University of Mainz
Description
Datesets belonging to the publication:
Baltruschat M and Czodrowski P. Machine learning meets pKa [version 2; peer review: 2 approved]. F1000Research 2020, 9(Chem Inf Sci):113 (https://doi.org/10.12688/f1000research.22090.2)
Corresponding GitHub repository: https://github.com/czodrowskilab/Machine-learning-meets-pKa
Files
Files
(55.1 MB)
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md5:18b20b5a4f4554810bc1a8a986f8a902
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1.2 MB | Download |
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md5:9f0d36e4da65429cf7982a50e0f96074
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227.1 kB | Download |
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md5:3f9ac8e61053d8c878b892bfa451c405
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18.2 MB | Download |
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md5:5ce95046262c9d1e1c76c8915c6685dc
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10.6 MB | Download |
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md5:93233e100ee2e0ffe3e1fcc2da13c7fd
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10.4 MB | Download |
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md5:04fe608ef4730a266e43e56dd392db2f
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13.8 MB | Download |
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md5:56d6848d139267adb328867a27de0600
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684.0 kB | Download |
Additional details
Related works
- Is supplement to
- Journal article: 10.12688/f1000research.22090.2 (DOI)