petermr/CEVOpen

📕 Documentation: Dictionary.xml and DictionaryDescription.md of: eoCompound

EmanuelFaria opened this issue · 4 comments

EmanuelFaria commented

Here we describe the process of creating a [DictionaryName]DictionaryDescription.md document, within which we will describe the contents of the individual dictionary (named in the title of this Issue), which was created (or is in the process of being created) from data collected for Oil186.

I will begin this thread by pasting the contents of the first draft copy below for discussion and direction.

EmanuelFaria commented

@petermr Here again, please choose from the two possible files linked in the headers below, and let me/us know which one to keep, and which to delete.

Thanks

EmanuelFaria commented

EO Constituent Compounds - Constituents and Concentrations

Essential Oils (EOs) are the concentrated hydrophobic liquid containing volatile chemical compounds extracted from plants. Essential oils are also known as volatile oils, ethereal oils, aetherolea, or simply as the oil of the plant from which they were extracted, such as oil of clove.

Qualitative (constituent compounds) and quantitative (%) analysis of the chemical composition of the tested Essential Oils (Extracts?), with each known compound linked to its IUPAC International Chemical Identifier (InChI).

 ### EOConstituentCompoundsDictionaryDescription.md

EmanuelFaria commented

As of today, I believe this dictionary and it's description document are complete. Below I will copy the contents of the description document:

EO Compound​ Dictionary

 

Essential Oils (EOs) are the concentrated hydrophobic liquid containing volatile chemical compounds extracted from plants. Essential oils are also known as volatile oils, ethereal oils, aetherolea, or simply as the oil of the plant from which they were extracted, such as oil of clove.

Qualitative (constituent compounds) and quantitative (%) analysis of the chemical composition of the tested Essential Oils (Extracts?), with each known compound linked to its IUPAC International Chemical Identifier (InChI).

 

File Data

  • Description: A dictionary of 2114 constituent chemical compounds extracted from Essential Oils converted from essoldb1.0 data. Of the 2114 entries, 1010 had their names normalized and tagged with corresponding Wikidata IDs, the other 1104 remain to be resolved as no Wikidata IDs currently exist for them.

  • Filename: eoCompound.xml

  • File Location: https://github.com/petermr/CEVOpen/blob/master/dictionary/eoCompound/eoCompound.xml

 

Table Column Headings

  • id: serialized identifier

  • desc: data source

  • name: The name is a human readable string describing the concept.

  • term: The term is the precise string used to identify the concept. Name and Term are often the same.

  • wikidataID: Unique identifier linked to Wikidata.org — a free and open knowledge base that can be read and edited by both humans and machines.

 

Contents/Results

  • No. of source papers: 186

  • No. of Entries (Headers are not counted): 2114

  • No. of unique compound names (including alternate spellings or synonyms): 2114

  • No. of Chemical Compounds resolved in Wikidata: 1010

  • No. of Chemical Compounds NOT resolved in Wikidata: 1104

 

Notes: