Full identifier: https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14
Assigned to 2 classes:
| Nanopublication | Part | Subject | Predicate | Object | Published By | Published On |
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links a nanopublication to its assertion
http://www.nanopub.org/nschema#hasAssertion
assertion
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Datasets.zul
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(unknown)
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2025-07-28T12:22:00.846Z
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links a nanopublication to its assertion
http://www.nanopub.org/nschema#hasAssertion
assertion
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Datasets.zul
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25 July 2025
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(unknown)
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2025-07-28T12:22:00.846Z
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links a nanopublication to its assertion
http://www.nanopub.org/nschema#hasAssertion
assertion
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Datasets.zul
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(unknown)
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2025-07-28T12:22:00.846Z
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links a nanopublication to its assertion
http://www.nanopub.org/nschema#hasAssertion
assertion
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Datasets.zul
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A curated and enriched dataset focused on the skin irritation potential of small organic molecules. Data were retrieved from the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) database, and were curated as part of the study by Borba et al. (https://ehp.niehs.nih.gov/doi/10.1289/EHP9341). The final dataset comprises 1,011 unique compounds, classified as skin irritants (label 1) and non- irritants (label 0). Data are enriched with 1,165 Mordred descriptors, as well as MACCS and Morgan fingerprints derived from their 2D molecular structures. Information on the compounds CAS, CID, InChIKey etc. are also included whenever possible, retrieved from the PubChem database.
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(unknown)
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2025-07-28T12:22:00.846Z
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links a nanopublication to its assertion
http://www.nanopub.org/nschema#hasAssertion
assertion
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Datasets.zul
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Skin Irritation potential of small molecules
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(unknown)
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2025-07-28T12:22:00.846Z
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links a nanopublication to its assertion
http://www.nanopub.org/nschema#hasAssertion
assertion
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Datasets.zul
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(unknown)
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2025-07-28T12:22:00.846Z
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links a nanopublication to its assertion
http://www.nanopub.org/nschema#hasAssertion
assertion
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Datasets.zul
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Datasets.zul
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(unknown)
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2025-07-28T12:22:00.846Z
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links a nanopublication to its assertion
http://www.nanopub.org/nschema#hasAssertion
assertion
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Datasets.zul
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(unknown)
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2025-07-28T12:22:00.846Z
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links a nanopublication to its assertion
http://www.nanopub.org/nschema#hasAssertion
assertion
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Datasets.zul
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(unknown)
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2025-07-28T12:22:00.846Z
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links a nanopublication to its assertion
http://www.nanopub.org/nschema#hasAssertion
assertion
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Datasets.zul
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1
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(unknown)
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2025-07-28T12:22:00.846Z
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