=-: PubChemRDF :-= Please direct all questions to info@ncbi.nlm.nih.gov The PubChemRDF project encodes PubChem information using RDF - Resource Description Framework (http://www.w3.org/RDF/). One of the aims of the PubChemRDF project is to help researchers work with PubChem data on local computing resources using semantic web technologies (http://en.wikipedia.org/wiki/Semantic_Web). Another aim is to harness ontological frameworks to help facilitate PubChem data sharing, analysis, and integration with resources external to the National Center for Biotechnology (NCBI - http://www.ncbi.nlm.nih.gov) and across scientific domains. For more details, read the docs: http://pubchem.ncbi.nlm.nih.gov/docs/rdf/ For changelog, read the version hisotry: https://pubchem.ncbi.nlm.nih.gov/docs/rdf-version This directory contains the following files or folders: schema/ - PubChemRDF data model in various schema formats, such as SHACL, ShEx, YAML, and DCTAP. void.ttl - Metadata about PubChemRDF Each of the sub-directory below corresponds to a PubChemRDF subdomain: anatomy/ - semantic links for a given anatomy entity including its type, preferred label, and cross-references to other resources. author/ - author information from literature that cross links to PubChemRDF internal subdomains and other resources. bioassay/ - semantic links for a given bioassay entity including its type, title, source, and cross-references to other resources book/ - general information about a book from NCBI Bookshelf. cell/ - semantic links for a given cell line entity including its type, preferred label, and cross-references to other resources. concept/ - semantic links related to the biomedical concepts used to annotate the PubChemRDF resource compound/ - linkage between compound and chemical descriptor resources, and the linkage between interrelated compounds conserveddomain/ - semantic links for a given conserved domain entity including its type, title, abstract, and cross-references to other resources. cooccurrence/ - cooccurrence relations of named entities, including chemical, disease and gene/potein derived from biomedical literature by using text mining approaches and cross links to PubChemRDF internal subdomains. descriptor/ - semantic links for a given descriptor entity including its type, value, and unit disease/ - semantic links for a given disease entity including its type, preferred label, and cross-references to other resources. endpoint/ - semantic links for a given endpoint entity including its type, preferred label, and cross-references to other resources. gene/ - semantic links for a given gene entity including its type, preferred label, and cross-references to other resources. grant/ - general information about a grant from literature. inchikey/ - linkage between the IUPAC standard InChIKey with PubChem Compound CIDs journal/ - general information about a journal from NLM journal list. measuregroup/ - semantic links for a given gene entity including its type, preferred label, and cross-references to other resources. organization/ - general information about a organization/funding agency from literature. patent/ - general information about a patent, including title, abstract, inventor, etc, and the International Patent Classification (IPC), the Cooperative Patent Classification (CPC), and linkage to PubChem substances. pathway/ - semantic links for a given pathway entity including its type, title, source, and cross-references to other resources. protein/ - semantic links for a given protein entity including its type, preferred label, and cross-references to other resources. reference/ - general information of literature and cross links to other resources. source/ - type, title, contributor, homepage, and substance categorization classification for a given data source substance/ - linkage between substance and chemical descriptor resources, the linkage between substance and standardized compound resources, and linkage between substance and measure group resources, as well as linkage between substance and data source resources synonym/ - linkage between the chemical substance names and PubChem Compound CID and PubChem Substance SID records. taxonomy/ - semantic links for a given taxonomy entity including its type, preferred label, and cross-references to other resources. All RDF data files are in turtle format and gzip compressed, indicated by the suffix ".ttl.gz". Data from one RDF sub-domain can refer to others. Each file is of the type "prefix_xxx_yyy.ttl.gz". The "prefix" indicates the file content type, the ".ttl.gz" suffix indicates the file is in turtle RDF format and gzip compressed, while "xxx" and "yyy" indicate a range of values, where what the value means is context dependent. For example, "compound_1_100.ttl.gz" indicates the "compound" sub-domain and "1_100" indicates data for CID1 through CID100. Under each subdomain directory, there is a schema diagram file in SVG format. For further assistance, please contact info@ncbi.nlm.nih.gov. Thank you, - the PubChem team :-= Fair Use Disclaimer =-: Databases of molecular data on the NCBI FTP site include such examples as nucleotide sequences (GenBank), protein sequences, macromolecular structures, molecular variation, gene expression, and mapping data. They are designed to provide and encourage access within the scientific community to sources of current and comprehensive information. Therefore, NCBI itself places no restrictions on the use or distribution of the data contained therein. However, some submitters of the original data may claim patent, copyright, or other intellectual property rights in all or a portion of the data they have submitted. NCBI is not in a position to assess the validity of such claims and, therefore, cannot provide comment or unrestricted permission concerning the use, copying, or distribution of the information contained in the molecular databases.