<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ> <http://www.nanopub.org/nschema#hasAssertion> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/Head> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ> <http://www.nanopub.org/nschema#hasProvenance> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/provenance> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/Head> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ> <http://www.nanopub.org/nschema#hasPublicationInfo> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/Head> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ> <http://www.w3.org/1999/02/22-rdf-syntax-ns#type> <http://www.nanopub.org/nschema#Nanopublication> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/Head> .
<https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14> <http://purl.obolibrary.org/obo/WC#_computational_observation> <https://w3id.org/np/RAaJdUaT3l7Rlo6lPiWBZo34ef-prf6Sy963pqAJ6OKwM> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> .
<https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14> <http://purl.obolibrary.org/obo/WC#_computational_observation> <https://w3id.org/np/RAlyDkab-wXp2QdBR-8OFH48PIKfScP85Ff2hJMvJ5CFA> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> .
<https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14> <http://purl.obolibrary.org/obo/WC#_computational_observation> <https://w3id.org/np/RApZ2C0QJHdS4BGdzrDf4vBw_jseLQoJOJFtrH8NrwcI0> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> .
<https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14> <http://purl.org/dc/terms/created> "25 July 2025" <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> .
<https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14> <http://purl.org/dc/terms/description> "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." <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> .
<https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14> <http://purl.org/dc/terms/hasFormat> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/Tabular> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> .
<https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14> <http://purl.org/dc/terms/hasVersion> "1" <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> .
<https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14> <http://purl.org/dc/terms/identifier> <https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> .
<https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14> <http://purl.org/dc/terms/license> <https://creativecommons.org/licenses/by/4.0/> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> .
<https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14> <http://purl.org/dc/terms/publisher> <https://novamechanics.eu/> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> .
<https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14> <http://purl.org/dc/terms/references> <https://doi.org/10.1289/EHP9341> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> .
<https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14> <http://purl.org/dc/terms/title> "Skin Irritation potential of small molecules" <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> .
<https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14> <http://purl.org/dc/terms/type> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/Excel> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> .
<https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14> <http://www.w3.org/1999/02/22-rdf-syntax-ns#type> <http://purl.org/dc/dcmitype/Dataset> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> .
<https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14> <http://www.w3.org/ns/sosa/isHostedBy> <https://pharos.novamechanics.com/chempharos.html> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> .
<https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14> <http://www.w3.org/ns/sosa/observedProperty> <https://w3id.org/np/RAq1E-9lh7avwZ8ITK0ocPz6sk9TFfvdzYWb4WHN7H6T4> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> .
<https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14> <https://w3id.org/iadopt/ont/VariableSet> <https://w3id.org/np/RAUchlkiZcGrUWQ-1AYIISB9xXONrivD--7xyAEVaQZbc> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> .
<https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14> <https://w3id.org/iadopt/ont/VariableSet> <https://w3id.org/np/RAov4RbWnNn6deaA4tFRGY2Sv5pCSuwAPSyQ0RNabBP8g> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> .
<https://db.chempharos.eu/datasets/Datasets.zul?datasetID=ds14> <https://w3id.org/iadopt/ont/hasTarget> <https://w3id.org/np/RAVXKGINlP1wgG8wygwBViSnlDrs_wGzq07404GgM8ncY> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/assertion> <http://www.w3.org/ns/prov#wasAttributedTo> <https://orcid.org/0009-0008-4552-6555> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/provenance> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ> <http://purl.org/dc/terms/created> "2025-07-28T12:22:00.846Z"^^<http://www.w3.org/2001/XMLSchema#dateTime> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ> <http://purl.org/dc/terms/creator> <https://orcid.org/0009-0008-4552-6555> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ> <http://purl.org/dc/terms/license> <https://creativecommons.org/licenses/by/4.0/> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ> <http://purl.org/nanopub/x/hasNanopubType> <http://purl.org/dc/dcmitype/Dataset> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ> <http://purl.org/nanopub/x/wasCreatedAt> <https://nanodash.knowledgepixels.com/> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ> <http://purl.org/ontology/bibo/authorList> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/author-list> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ> <http://www.w3.org/2000/01/rdf-schema#label> "Dataset: Skin Irritation potential of small molecules" <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ> <https://w3id.org/np/o/ntemplate/wasCreatedFromProvenanceTemplate> <https://w3id.org/np/RA7lSq6MuK_TIC6JMSHvLtee3lpLoZDOqLJCLXevnrPoU> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ> <https://w3id.org/np/o/ntemplate/wasCreatedFromPubinfoTemplate> <https://w3id.org/np/RA0J4vUn_dekg-U1kK3AOEt02p9mT2WO03uGxLDec1jLw> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ> <https://w3id.org/np/o/ntemplate/wasCreatedFromPubinfoTemplate> <https://w3id.org/np/RA16U9Wo30ObhrK1NzH7EsmVRiRtvEuEA_Dfc-u8WkUCA> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ> <https://w3id.org/np/o/ntemplate/wasCreatedFromPubinfoTemplate> <https://w3id.org/np/RAukAcWHRDlkqxk7H2XNSegc1WnHI569INvNr-xdptDGI> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ> <https://w3id.org/np/o/ntemplate/wasCreatedFromTemplate> <https://w3id.org/np/RAFPOnL42jS_Dixoh_r_PtApB_97RH3Va443rlCixBuOo> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/author-list> <http://www.w3.org/1999/02/22-rdf-syntax-ns#_1> <https://orcid.org/0000-0002-8332-9690> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/author-list> <http://www.w3.org/1999/02/22-rdf-syntax-ns#_10> <https://orcid.org/0000-0002-3233-8837> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/author-list> <http://www.w3.org/1999/02/22-rdf-syntax-ns#_11> <https://orcid.org/0000-0002-0977-8180> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/author-list> <http://www.w3.org/1999/02/22-rdf-syntax-ns#_2> <https://orcid.org/0000-0002-7474-7014> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/author-list> <http://www.w3.org/1999/02/22-rdf-syntax-ns#_3> <https://orcid.org/0000-0003-2071-6906> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/author-list> <http://www.w3.org/1999/02/22-rdf-syntax-ns#_4> <https://orcid.org/0009-0008-4552-6555> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/author-list> <http://www.w3.org/1999/02/22-rdf-syntax-ns#_5> <https://orcid.org/0000-0002-2322-7422> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/author-list> <http://www.w3.org/1999/02/22-rdf-syntax-ns#_6> <https://orcid.org/0009-0001-6399-1177> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/author-list> <http://www.w3.org/1999/02/22-rdf-syntax-ns#_7> <https://orcid.org/0000-0002-1297-3104> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/author-list> <http://www.w3.org/1999/02/22-rdf-syntax-ns#_8> <https://orcid.org/0000-0002-8512-4509> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/author-list> <http://www.w3.org/1999/02/22-rdf-syntax-ns#_9> <https://orcid.org/0000-0001-7547-2342> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/sig> <http://purl.org/nanopub/x/hasAlgorithm> "RSA" <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/sig> <http://purl.org/nanopub/x/hasPublicKey> "MIIBIjANBgkqhkiG9w0BAQEFAAOCAQ8AMIIBCgKCAQEAnYjlBJbrFOWau+KEjVX+i22p8IyZ03lD8EFXLRHDs075dtIH2uYFtoPIpwGwKwjeK/MTi/1JJYASYDqc00rWHu7GLRqKOkGKYSo6agB+5fJRycay2Ap9LWJSy5KTzW2BRXmJgLSBfuTOyEHC6PGnc5qXC9hwtQzGnTPdxAuWPXtePngk5ily2scwPL973s/r9/ON1o6+WTtFNc9jLVyaR89osnTp2orBeKNQ6Ai9JSR+3CxNo/WHCTquoMb64xY0xURjuLe/BhigXl+1oBjq4iZFdtB3vxImsg+vnzk8YFIzC8BAMQYPbWkZhKGL3P6JBHgYsHfabEs3NrQsyetxLwIDAQAB" <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/sig> <http://purl.org/nanopub/x/hasSignature> "jarnd+fOt9ofGAUbMv+JL3zDtdYRdunctWhZo2890zfNYIhHjyhlVvtVSmm0KJ05d04QZ9ezAtjHENW7sMeU22MgnwHH/aSwj2DriQDZO9FhXE9PMlXMoYaITiCtstUn0WwuCjMnSLCi/vpmYDcukj77Fg7mbBOsi3kJVnN0n3l+wLOgiBOLVoM5sagVatngJ4oLRQOQ+QM9P3qAzrKWUSO6NlAYZtd12jdRhag3YclqTEOfaYdyEon6FIuicmLhv+M2oZAnZ+pjBe2xvtYEjwlmP99xNmIKQtCFnHcpqOLeio1q/RVRA3VQt8pbIGfFt9a1a0k+cSBHBfWfwGLxzw==" <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/sig> <http://purl.org/nanopub/x/hasSignatureTarget> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .
<https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/sig> <http://purl.org/nanopub/x/signedBy> <https://orcid.org/0009-0008-4552-6555> <https://w3id.org/np/RAW9bu7e3fyhEvc29zcYslr0oiDW8Z573IX0V6c3_cpxQ/pubinfo> .