Pang-bô͘:Chembox DrugBank
|
|
This template may be suitable for conversion to use {{Infobox}} as a base. |
Template {{Chembox}} is an infobox for chemicals. It has a large number of options to add relevant data and images. The infobox is organized in sections like "identifiers" and "hazards".
Usage
[kái goân-sí-bé]The Chembox has a modular design. After the general information like the chemical name and images, it can be built from multiple sections, each covering a group of information (like "pharmacology"). Depending on the compound, sections can be added or left out, and within a section parameters can be added or omitted (left blank).
The sections and their parameters are listed below.
Within the general chembox template (with its own parameters like |ImageFile= and |IUPACName=), each section is added with this pattern (as the value of a parameter |Sectionx=.
{{Chembox
| ImageFile =
| IUPACName =
<!-- more general Chembox parameters here -->
| Section1 = {{Chembox Identifiers
| CASNo =
| PubChem =
<!-- more Identifier parameters here -->
}}
}}
In this format, spaces and new lines have no meaning and can be used freely to separate sections (though within a data value, a space has a meaning, except generally leading and trailing spaces).
Each section has its own number in |Section#=. Then a section is defined with "|Section# = {{Chembox " and ends with "}}". Sections cannot 'nest': one must close one section with }} before adding another |Section#= {{Chembox ....
Keep in mind the advice in the main Infobox documentation to use the {{Unbulleted list}} template to present multiple values for a parameter so as to ensure that the values are each started on a new line and tagged appropriately in the underlying markup. This is particularly important with parameters like |OtherNames=, since many names use commas within them, and using commas as separators leads to ambiguity. For example:
| OtherNames = {{Unbulleted list
| 2,4,6(1''H'',3''H'',5''H'')-pyrimidinetrione
| 2,4,6-trioxohexahydropyrimidine
| pyrimidinetriol
| malonylurea
| 6-hydroxyuracil
| ''N'',''N''-(1,3-dioxo-1,3-propanediyl)urea
}}
| (next parameter) = <!-- etc. -->
Small, simple form
[kái goân-sí-bé]To use, simply copy and paste the left column into the document, filling in whatever you can, and save:
{{Chembox
<!-- Images -->
| ImageFile =
|
| SMILES =
}}
| Section2 = {{Chembox Properties
| Formula =
| MolarMass =
| Appearance =
| Density =
| MeltingPt =
| BoilingPt =
| Solubility =
}}
| Section3 = {{Chembox Hazards
| MainHazards =
| FlashPt =
| AutoignitionPt =
}}
}}
|
Medium form
[kái goân-sí-bé]To use, simply copy and paste the left column into the document, filling in whatever you can:
{{Chembox
| Reference =
<!-- Names -->
| Name =
| IUPACName =
| PIN =
| SystematicName =not
| OtherNames = {{Unbulleted list
| ''name1''
| ''name2''
...
| ''name50''
}}
| data paMBLONES PARA OS.CUEVAS.RODRIGUEZ.PIZANO.LLAMAS...GARCEGOge pagename =
<!-- Images -->
| ImageFile =
| ImageSize =VVLPP
| ImageAlt = O
| ImageName = CARRITO
| ImageCaption =AM.PM
| ImageFile1 = PCIHU
| ImageSize1 =
| ImageAlt1 =HONGK Y FAM
| ImageName1 =
| ImageCaption1 =
| ImageFile2 =
| ImageSize2 =
| ImageAlt2 =
| ImageName2 =
| ImageCaption2 =
| ImageFile3 =
| ImageSize3 =
| ImageAlt3 =
| ImageName3 =
| ImageFileL1 =
| ImageSizeL1 =
| ImageAltL1 =
| ImageNameL1 =
| ImageFileR1 =
| ImageSizeR1 =
| ImageAltR1 =
| ImageNameR1 =
| ImageFileL2 =
| ImageSizeL2 =
| ImageAltL2 =
| ImageNameL2 =
| ImageFileR2 =
| ImageSizeR2 =
| ImageAltR2 =
| ImageNameR2 =
<!-- Sections -->
| Section1 = {{Chex IdentifierOOO
| 3DMet =
| Abbreviations =
| Beilstein =
| CASNo =
| CASNo_Comment =
| CASOther =
| ChEBI =
| ChemSpiderID =SANJUAN MICHEL ORTEGA Y CARTEL JALISCO...( JZ ORTA}{
| EINECS =
| EC_number =
| EC_number_Comment =
| Gmelin =
| InChI =
| KEGG =
| MeSHName =
| PubChem = VALLARTA CHATO.Y PEURGO
| RTECS = PRECIDENCIA GRULLO
| SMILES = GUAYABITOS
| UNNumber =$&
}}^:
| Section2 = {{Chembox Properties
| AtmosphericOHRateConstant =
| Appearance = SIN CERELLOS
| BoilingPt =
| BoilingPtC =
| BoilingPt_ref =
| BoilingPt_notes =
| Density =
| Formula =
| HenryConstant =
| LogP =
| MolarMass =
| MeltingPt =
| MeltingPtC =
| MeltingPt_ref =
| MeltingPt_notes =
| pKa =
| pKb =
| Solubility =
| SolubleOther =
| Solvent =
| VaporPressure =
}}
| Section3 = {{Chembox Structure
| Coordination =
| CrystalStruct =
| MolShape =
}}
| Section4 = {{Chembox Thermochemistry
| DeltaGf =
| DeltaHc =
| DeltaHf =
| Entropy =
| HeatCapacity =
}}
| Section5 = {{Chembox Explosive
| ShockSens =
| FrictionSens =
| DetonationV =
| REFactor =
}}
| Section6 = {{Chembox Pharmacology
| ATCvet =
| ATCCode_prefix =
| ATCCode_suffix =
| ATC_Supplemental =
| AdminRoutes =
| Bioavail =
| Excretion =
| HalfLife =
| Metabolism =
| legal_status =
| legal_AU =
| legal_AU_comment =
| legal_CA =
| legal_CA_comment =
| legal_NZ =
| legal_NZ_comment =
| legal_US =
| legal_US_comment =
| legal_UK =
| legal_UK_comment =
| legal_EU =
| legal_EU_comment =
| legal_UN =
| legal_UN_comment =
| pregnancy_category =
| pregnancy_AU =
| pregnancy_AU_comment =
| pregnancy_US =
| pregnancy_US_comment =
| ProteinBound =
| Dependence_liability =
| Addiction_liability =
}}
| Section7 = {{Chembox Hazards
| AutoignitionPt =
| ExploLimits =
| FlashPt =
| LD50 =
| LC50 =
| MainHazards =
| NFPA-F =
| NFPA-H =
| NFPA-R =
| NFPA-S =
| PEL =
| REL =
| ExternalSDS =
| GHSPictograms =
| GHSSignalWord =
| HPhrases =
| PPhrases =
}}
| Section9 = {{Chembox Related
| OtherAnions =
| OtherCations =
| OtherFunction =
| OtherFunction_label =
| OtherCompounds =
}}
}}
|
|
Full form
[kái goân-sí-bé]To use, simply copy and paste the left column into the document, and press save to get an empty Chembox:
| Long parameter list for {{Chembox}} | ||
|---|---|---|
|
Sections parameter lists may be incomplete
Chham-oa̍t: More on images
|
Indexed parameters
[kái goân-sí-bé]| CASNo = | CASNo1 = | CASNo2 = | CASNo3 = | CASNo4 = | CASNo5 = | CASNoOther =
| Indexed parameters |
|---|
|
Overview | CASNo = | CASNo1 = | CASNo5 = | CASNoOther = | ChEBI = | ChEBI1 = | ChEBI5 = | ChEBIOther = | ChEMBL = | ChEMBL1 = | ChEMBL5 = | ChEMBLOther = | ChemSpiderID = | ChemSpiderID1 = | ChemSpiderID5 = | ChemSpiderIDOther = | DrugBank = | DrugBank1 = | DrugBank5 = | DrugBankOther = | InChI = | InChI1 = | InChI5 = | InChIOther = | KEGG = | KEGG1 = | KEGG5 = | KEGGOther = | PubChem = | PubChem1 = | PubChem5 = | PubChemOther = | SMILES = | SMILES1 = | SMILES5 = | SMILESOther = | UNII = | UNII1 = | UNII5 = | UNIIOther = |
Indexed parameters take indexes 'blank', 1–5 (six options together). They should have straight input, such as a correct CAS Registry Number.
- Eight base parameters are indexed this way, all identifiers:
CASNo, ChEBI, ChEMBL, ChemSpiderID, DrugBank, InChI, KEGG, PubChem, SMILES, UNII
- Then
|_Other=(like|CASNoOther=) is available for free text input.
same substance, same index
[kái goân-sí-bé]When the chembox has multiple substances, you can use the index. Make sure that |CASNo3= and |SMILES3= are about the same substance, and |CASNo3= and |SMILES2= are not. Treat index "0" the same way:
|CASNo=is|InChI=is|SMILES=|CASNo1=is|InChI1=is|SMILES1=|CASNo=is not|InChI1=is not|SMILES4=
Labeling the substances
[kái goân-sí-bé]By using a parameter like |index2_label=, you can prefix every #2-input with that same prefix.
{{chembox
| Name=[[Linalool]]
|Section1={{Chembox Identifiers
| index_label =
| index1_label = (''R'')
| index2_label = (''S'')
| index_comment = (+/-)-linalool
| index1_comment = (-)-linalool
| index2_comment = (+)-linalool
| CASNo = 78-70-6
| CASNo1 = 126-91-0
| CASNo2 = 126-90-9
| PubChem = 6549
| PubChem1 = 443158
| PubChem2 = 67179
}}
}}
| Sek-pia̍t-hō | |
|---|---|
| |
PubChem CID
|
|
| CASNo_Comment = | CASNo1_Comment = | CASNo5_Comment =
- For specific additions, each parameter has a
|_Comment=option.
Section subtemplates
[kái goân-sí-bé]The following section subtemplates are available:
- {{Chembox Identifiers}}
- {{Chembox Properties}}
- {{Chembox Structure}}
- {{Chembox Thermochemistry}}
- {{Chembox Explosive}}
- {{Chembox Pharmacology}}
- {{Chembox Hazards}}
- {{Chembox Related}}
And the automated section, that is visible when 'pagename (data page)' exists:
See these subsections for their parameter options.
The order of these sections in the infobox is set by the section number (|Section#=) only. Not by the typed sequence. This documentation keeps this arbitrary order:
| Section1 = {{Chembox Identifiers}}
| Section2 = {{Chembox Properties}}
| Section3 = {{Chembox Structure}}
| Section4 = {{Chembox Thermochemistry}}
| Section5 = {{Chembox Explosive}}
| Section6 = {{Chembox Pharmacology}}
| Section7 = {{Chembox Hazards}}
| Section9 = {{Chembox Related}}
Sections that are not used can be safely removed, renumbering is not necessary.
Adding images
[kái goân-sí-bé]Parameters
[kái goân-sí-bé]Image parameters for the first images:
{{Chembox
<!-- Other chembox parameters can go here -->
<!-- Row 1/7 -->
| ImageFile =
| ImageName =
| ImageSize =
| ImageAlt =
| ImageCaption =
| ImageFile_Ref =
<!-- Row 2/7 -->
| ImageFile1 =
| ImageName1 =
| ImageSize1 =
| ImageAlt1 =
| ImageCaption1 =
| ImageFile1_Ref =
<!-- Row 3/7 -->
| ImageFileL1 =
| ImageNameL1 =
| ImageSizeL1 =
| ImageAltL1 =
| ImageCaptionL1 =
| ImageFileL1_Ref =
| ImageFileR1 =
| ImageNameR1 =
| ImageSizeR1 =
| ImageAltR1 =
| ImageCaptionR1 =
| ImageFileR1_Ref =
| ImageCaptionL1R1 =
<!-- More chembox parameters can go here, like |Section1=... -->
}}
Examples
[kái goân-sí-bé]Image parameters for an image (example: File1). All are optional.
A caption shows here
|
{{Chembox
| ImageFile1 = Furfural.svg
| ImageAlt1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageName1 =
| ImageCaption1 = A caption shows here
| ImageSize1 =
| ImageFile1_Ref =ref
}}
Adding two images:
{{Chembox
| ImageFile = Furfural.svg
| ImageAlt = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFile1 = Furfural-3D-vdW.png
| ImageAlt1 = 3D filled-sphere model of the same molecule
}}
This gives two images, each image on his own row (note, ImageFile is the first image, ImageFile1 is the second).
Adding two images, side by side (L1 and R1):
|
| |||
{{Chembox
| ImageFileL1 = Furfural.svg
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFileR1 = Furfural-3D-vdW.png
| ImageAltR1 = 3D filled-sphere model of the same molecule
}}
This gives one row with two images. Note that ImageFile is now not supplied.
Multiple images
[kái goân-sí-bé]| row 1 | ImageFile | |
|---|---|---|
| row 2 | ImageFile1 | |
| row 3 | ImageFileL1 | ImageFileR1 |
| row 4 | ImageFile2 | |
| row 5 | ImageFileL2 | ImageFileR2 |
| row 6 | ImageFile3 | |
| row 7 | ImageFileL3 | ImageFileR3 |
This gives the possibility to play a bit with which image is first (rows with empty parameters are not displayed). Example:
|
| |||
| Hō-miâ | |||
|---|---|---|---|
| IUPAC hō-miâ
example
| |||
| Infobox chham-chiàu | |||
{{Chembox
| ImageFileL1 = Furfural.svg
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFileR1 = Furfural-3D-vdW.png
| ImageSizeR1 =
| ImageAltR1 = 3D filled-sphere model of the same molecule
| ImageFile2 = Water droplet blue bg05.jpg
| ImageAlt2 = Water droplet erupting from the center of a concentric ring of ripples, evidently in response to a drop landing in the water just before
| IUPACName = example
}}
This gives one row with two images, and one row with one image.
Names
[kái goân-sí-bé]
{{Chembox
<!-- Names -->
| Name =
| IUPACName =
| IUPACNames =
| PIN =
| SystematicName =
| OtherNames =
<!-- other parameters -->
}}
|
Infobox title (Pagetitle is default) IUPAC name Using -s makes section header plural Preferred IUPAC name Systematic IUPAC name List of all other name(s) |
Example
[kái goân-sí-bé]| Hō-miâ | |
|---|---|
| IUPAC hō-miâs
A, B
| |
| Iu-sian ê IUPAC hō-miâ
PIN | |
| Hē-thóng-tek IUPAC hō-miâ
SYS | |
| Kî-tha hō-miâ
X
Y Z |
{{Chembox
| Name=''cis''-3-Hexen-1-ol
| IUPACNames = A, B
| PIN = PIN
| SystematicName = SYS
| OtherNames = X<br/>Y<br/>Z
}}
Input from Wikidata
[kái goân-sí-bé]E number and ECHA InfoCard ID are read from Wikidata.
Maintenance
[kái goân-sí-bé]Troubleshooting
[kái goân-sí-bé]- When supplying a parameter with a value, and nothing or the wrong value shows up, check:
- Is the parameter placed in the correct section?
- Are the sections properly defined? Sections start with | Section# = {{Chembox sectionname |" and end with "}}".
- Is there inconsistency in the Section numbering? Available numbers for sections are 1 – 9.
Tracking categories
[kái goân-sí-bé]- Category:Chembox tracking categories (0)
- Category:Chemical articles with unknown parameter in Chembox (4)
Template Data
[kái goân-sí-bé]| TemplateData | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
|
This is the TemplateData documentation for this template used by VisualEditor and other tools.
See the monthly error report for this template. TemplateData for Chembox DrugBank Template {{Chembox}} is an infobox for chemicals. It has a large number of options to add relevant data and images. The Chembox has a modular design. After the general information like the chemical name and images, it can be built from multiple sections, each covering a group of information (like "pharmacology"). Depending on the compound, sections can be added or left out, and within a section parameters can be added or omitted (left blank). Please see this template's page for full documentation.
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
See also
[kái goân-sí-bé]
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Téng-bīn ê bûn-kiāⁿ sī tùi Pang-bô͘:Chembox DrugBank/doc khàm-ji̍p--ê. (pian-chi̍p | le̍k-sú) Pian-chip-chiá ē-sái tī chit-ê pang-bô͘ ê soa-a̍p (chhòng-kiàn | mirror) kap chhì-giām-kheh-suh (chhòng-kiàn) ia̍h-bīn chò si̍t-giām. Chhiáⁿ tī chú-ia̍h-bīn /doc lāi-bīn ka-thiam lūi-pia̍t. Pún pang-bô͘ ê chú-ia̍h-bīn. |

