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Add new chemistry prefixes appearing in MOD cross-references (#1311)
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This PR adds the following prefixes:

1. chemicalbook
2. informall
3. mdl
4. ontorxn
5. orangebook
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cthoyt authored Dec 12, 2024
1 parent 9c81bc7 commit 6385417
Showing 1 changed file with 109 additions and 1 deletion.
110 changes: 109 additions & 1 deletion src/bioregistry/data/bioregistry.json
Original file line number Diff line number Diff line change
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}
]
},
"chemicalbook": {
"contributor": {
"email": "[email protected]",
"github": "cthoyt",
"name": "Charles Tapley Hoyt",
"orcid": "0000-0003-4423-4370"
},
"description": "A hybrid chemical enyclopedia and supplier advertizing system for chemicals.",
"example": "CB82546919",
"github_request_issue": 1311,
"homepage": "https://www.chemicalbook.com",
"name": "Chemical Book",
"synonyms": [
"ChemicalBookNo"
],
"uri_format": "https://www.chemicalbook.com/ChemicalProductProperty_IN_$1.htm"
},
"chemidplus": {
"biocontext": {
"prefix": "CHEMIDPLUS"
Expand Down Expand Up @@ -17492,7 +17509,8 @@
},
"pattern": "^\\d{7}$",
"synonyms": [
"CHEMONTID"
"CHEMONTID",
"chemont"
],
"uri_format": "http://classyfire.wishartlab.com/tax_nodes/C$1"
},
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"wikidata": "P4732"
},
"name": "IUPAC Gold Book Compendium of Chemical Terminology",
"providers": [
{
"code": "goldbook.html",
"description": "This appears in REX",
"homepage": "http://goldbook.iupac.org",
"name": "GoldBook direct",
"uri_format": "http://goldbook.iupac.org/$1.html"
}
],
"uri_format": "https://goldbook.iupac.org/terms/view/$1",
"wikidata": {
"description": "identifier of definition in ''Compendium of Chemical Terminology'' (''IUPAC GoldBook'')",
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"uri_format": "https://www.ncbi.nlm.nih.gov/sites/entrez?cmd=search&db=pccompound&term=%22$1%22%5BInChIKey%5D"
}
},
"informall": {
"appears_in": [
"doid"
],
"contributor": {
"email": "[email protected]",
"github": "cthoyt",
"name": "Charles Tapley Hoyt",
"orcid": "0000-0003-4423-4370"
},
"description": "The InformAll database was developed to provide a credible source of information on allergenic food materials of both plant and animal origin.",
"example": "410",
"github_request_issue": 1311,
"homepage": "http://research.bmh.manchester.ac.uk/informAll/",
"name": "InformAll Allergenic Food Database",
"pattern": "^\\d+$",
"uri_format": "http://research.bmh.manchester.ac.uk/informall/allergenic-food/?FoodId=$1"
},
"inhand": {
"comment": "This nomenclature is available via email. Truly a disgrace.",
"contact": {
Expand Down Expand Up @@ -65523,6 +65568,26 @@
},
"pattern": "^\\d{7}$"
},
"mdl": {
"appears_in": [
"xlmod"
],
"contributor": {
"email": "[email protected]",
"github": "cthoyt",
"name": "Charles Tapley Hoyt",
"orcid": "0000-0003-4423-4370"
},
"description": "The MDL number contains a unique identification number for each reaction and variation. The format is RXXXnnnnnnnn. R indicates a reaction, XXX indicates which database contains the reaction record. The numeric portion, nnnnnnnn, is an 8-digit number. [wikipedia]",
"example": "MFCD00011659",
"github_request_issue": 1311,
"homepage": "https://en.wikipedia.org/wiki/Chemical_file_format#MDL_number",
"name": "Molecular Design Limited Hash",
"pattern": "^\\w{4}\\d{8}$",
"references": [
"https://en.wikipedia.org/wiki/Chemical_file_format#MDL_number"
]
},
"mdm": {
"aberowl": {
"description": "The Mapping of Drug Names and MeSH 2022 (MDM) provides owl:sameAs relationships of similar concepts for Drug Names from the DrugBank vocabulary (released 2022-01-03 under version 5.1.9: https://go.drugbank.com/releases/latest#open-data) and the Medical Subject Headings (2022 version: http://id.nlm.nih.gov/mesh/). Two concepts are considered similar if they share the same concept name or a common synonym. Additional synonyms are generated using the Snowball stemming algorithm. The software implementation is available on github within the Maven project SNoKE in the module snoke.ontology: https://github.com/bernd-mueller/snoke/tree/master/snoke.ontology",
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"uri_format": "https://www.novusbio.com/products/$1"
},
"npass": {
"comment": "This resource does not have an explicit license. The [lotus database](https://github.com/lotusnprod/lotus-processor/blob/main/docs/licenses/npass.md) inferred that the CC-BY-NC license from the paper might be good enough for applying to the data itself.",
"contributor": {
"email": "[email protected]",
"github": "cthoyt",
Expand All @@ -78761,6 +78827,7 @@
"description": "Database for integrating species source of natural products & connecting natural products to biological targets via experimental-derived quantitative activity data.\n",
"example": "NPC139585",
"homepage": "http://bidd.group/NPASS/",
"license": "CC-BY-NC",
"name": "Natural Product Activity and Species Source Database",
"pattern": "^NPC\\d+$"
},
Expand Down Expand Up @@ -83400,6 +83467,30 @@
],
"uri_format": "http://purl.obolibrary.org/obo/ONTONEO_$1"
},
"ontorxn": {
"contributor": {
"email": "[email protected]",
"github": "cthoyt",
"name": "Charles Tapley Hoyt",
"orcid": "0000-0003-4423-4370"
},
"description": "OntoRXN is an ontology for the description of reaction networks as undirected graphs characterized by energies.",
"download_owl": "https://gitlab.com/dgarayr/ontorxn/-/raw/prod/OntoRXN.owl",
"example": "hasCalculation",
"github_request_issue": 1311,
"homepage": "https://gitlab.com/dgarayr/ontorxn",
"license": "CC-BY-4.0",
"name": "OntoRXN",
"publications": [
{
"doi": "10.1186/s13321-022-00610-x",
"pmc": "PMC9153116",
"pubmed": "35637523",
"title": "Chemical reaction network knowledge graphs: the OntoRXN ontology",
"year": 2022
}
]
},
"oostt": {
"aberowl": {
"description": "An ontology built for representating the organizational components of trauma centers and trauma systems.",
Expand Down Expand Up @@ -83918,6 +84009,23 @@
"pattern": "^\\d{7}$",
"uri_format": "http://purl.obolibrary.org/obo/OPMI_$1"
},
"orangebook": {
"comment": "The web pages on the digital edition can be constructed with some programmatic logic, but not directly",
"contributor": {
"email": "[email protected]",
"github": "cthoyt",
"name": "Charles Tapley Hoyt",
"orcid": "0000-0003-4423-4370"
},
"description": "The first number is the chapter then the remainder are subsections.",
"example": "10.2.1.1.3",
"github_request_issue": 1311,
"homepage": "https://media.iupac.org/publications/analytical_compendium/",
"name": "IUPAC Compendium of Analytical Nomenclature (Orange Book)",
"references": [
"https://iupac.org/what-we-do/books/orangebook/"
]
},
"orcid": {
"bartoc": {
"description": "ORCID provides a persistent digital identifier that distinguishes you from every other researcher and, through integration in key research workflows such as manuscript and grant submission, supports automated linkages between you and your professional activities ensuring that your work is recognized.",
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