71 Works

WikiPathways SD file (v.2)

Egon Willighagen
Second release of a Structure Data File (SDF) containing metabolites found in WikiPathways. The file is created with SMILES strings from Wikidata based on the ID mappings to metabolites in the pathways, and converted into a SD file with CDK 1.5.14.

WikiPathways SD file (v.2)

Egon Willighagen
Second release of a Structure Data File (SDF) containing metabolites found in WikiPathways. The file is created with SMILES strings from Wikidata based on the ID mappings to metabolites in the pathways, and converted into a SD file with CDK 1.5.14.

NanoWiki (release 3)

Egon Willighagen
Third release of the NanoWiki dataset. This release extends the Linked Data feature, introducing owl:sameAs and skos:closeMatch. The first is used in the new ChEMBL bundle with a few derived fullerenes. A GEO bundle has also been added. Most nanomaterials are now linked directly to articles (with DOIs). The data now describes 420 nanomaterials with 900 measurements (physchem and bioassay data) from 43 research articles.

NanoWiki (release 3)

Egon Willighagen
Third release of the NanoWiki dataset. This release extends the Linked Data feature, introducing owl:sameAs and skos:closeMatch. The first is used in the new ChEMBL bundle with a few derived fullerenes. A GEO bundle has also been added. Most nanomaterials are now linked directly to articles (with DOIs). The data now describes 420 nanomaterials with 900 measurements (physchem and bioassay data) from 43 research articles.

NanoWiki 4

Egon Willighagen
Added more source annotation and SMILES info for many materialsm and physchem endpoints are now annotated with ontology terms. Furthermore, nanomaterials can now be typed with a specific ontology term, such as the JRC representative test materials.

NanoWiki (release 4)

Egon Willighagen
Added more source annotation and SMILES info for many materialsm and physchem endpoints are now annotated with ontology terms. Furthermore, nanomaterials can now be typed with a specific ontology term, such as the JRC representative test materials.

NanoWiki (release 4)

Egon Willighagen
Added more source annotation and SMILES info for many materialsm and physchem endpoints are now annotated with ontology terms. Furthermore, nanomaterials can now be typed with a specific ontology term, such as the JRC representative test materials.

ChemPedia as RDF

Egon Willighagen

Meta Meta Meta

Egon Willighagen

NanoWiki (release 1)

Egon Willighagen

ChemPedia as RDF

Egon Willighagen

Meta Meta Meta

Egon Willighagen

Meta Meta Meta

Egon Willighagen

Resource Types

  • Dataset
    71

Publication Year

  • 2018
    2
  • 2017
    10
  • 2016
    14
  • 2015
    22
  • 2014
    8
  • 2013
    15

Registration Year

  • 2018
    2
  • 2017
    19
  • 2016
    34
  • 2015
    5
  • 2014
    4
  • 2013
    7

Data Centers

  • figshare Academic Research System
    70
  • ZENODO - Research. Shared.
    1