Chembox templates |
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{{Chembox
| Reference =
<!-- Names -->
| Name =
| IUPACName =
| IUPACNames = <!-- -s for plural -->
| PIN =
| SystematicName =
| OtherNames =
<!-- Image parameters: see below -->
<!-- Sections -->
| Section1 =
| Section2 =
| Section3 =
| Section4 =
| Section5 =
| Section6 =
| Section7 =
| Section8 =
| Section9 =
<!-- Style settings -->
| style =
| width =
<!-- Bot parameter. Do not add, change or remove -->
| Verifiedfields =
| Watchedfields =
| verifiedrevid =
<!-- IMAGE row 1/9 -->
| ImageFile =
| ImageName =
| ImageSize =
| ImageAlt =
| ImageCaption =
<!-- IMAGE row 2/9 -->
| ImageFile1 =
| ImageName1 =
| ImageSize1 =
| ImageAlt1 =
| ImageCaption1 =
<!-- IMAGE (L, R) row 3/9 -->
| ImageNameL1 =
| ImageFileL1 =
| ImageSizeL1 =
| ImageAltL1 =
| ImageCaptionL1 =
| ImageNameR1 =
| ImageFileR1 =
| ImageSizeR1 =
| ImageAltR1 =
| ImageCaptionR1 =
<!-- IMAGE (L, R) row 4/9 -->
| ImageNameL2 =
| ImageFileL2 =
| ImageSizeL2 =
| ImageAltL2 =
| ImageCaptionL2 =
| ImageNameR2 =
| ImageFileR2 =
| ImageSizeR2 =
| ImageAltR2 =
| ImageCaptionR2 =
<!-- IMAGE row 5/9 -->
| ImageName2 =
| ImageFile2 =
| ImageSize2 =
| ImageAlt2 =
| ImageCaption2 =
<!-- IMAGE row 6/9 -->
| ImageName3 =
| ImageFile3 =
| ImageSize3 =
| ImageAlt3 =
| ImageCaption3 =
<!-- IMAGE rows 7-8-9/9 See below. ( _L3/R3, _L3/R4, _4: rarely needed or used) -->
}}
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{{Chembox}} - main parameters
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- Rarely used parameters
{{Chembox
<!-- footer settings -->
| style-left-column-width=
| show_ss_note =
| show_infobox_ref =
| general_note =
<!-- IMAGE (L, R) row 7/9 -->
| ImageNameL3 =
| ImageFileL3 =
| ImageSizeL3 =
| ImageAltL3 =
| ImageCaptionL3 =
| ImageNameR3 =
| ImageFileR3 =
| ImageSizeR3 =
| ImageAltR3 =
| ImageCaptionR3 =
<!-- IMAGE (L, R) row 8/9 -->
| ImageNameL4 =
| ImageFileL4 =
| ImageSizeL4 =
| ImageAltL4 =
| ImageCaptionL4 =
| ImageNameR4 =
| ImageFileR4 =
| ImageSizeR4 =
| ImageAltR4 =
| ImageCaptionR4 =
<!-- IMAGE row 9/9 -->
| ImageName4 =
| ImageFile4 =
| ImageSize4 =
| ImageAlt4 =
| ImageCaption4 =
}}
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{{Chembox}} - rarely used parameters
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|Section1={{Chembox Identifiers
| Identifiers_ref =
<!--CASNo, +ix 1–5-->
| CASNo =
| CASNo_Comment =
| CASNo1 =
| CASNo1_Comment =
| CASNoOther =
<!--ChEBI, +ix 1–5-->
| ChEBI =
| ChEBI_Comment =
| ChEBI1 =
| ChEBI1_Comment =
| ChEBIOther =
<!--ChEMBL, +ix 1–5-->
| ChEMBL =
| ChEMBL_Comment =
| ChEMBL1 =
| ChEMBL1_Comment =
| ChEMBLOther =
<!--ChemSpiderID, +ix 1–5-->
| ChemSpiderID =
| ChemSpiderID_Comment =
| ChemSpiderID1 =
| ChemSpiderID1_Comment =
| ChemSpiderIDOther =
<!--DrugBank, +ix 1–5-->
| DrugBank =
| DrugBank_Comment =
| DrugBank1 =
| DrugBank1_Comment =
| DrugBankOther =
<!--IUPHAR_ligand, +ix 1–5-->
| IUPHAR_ligand =
| IUPHAR_ligand_Comment =
| IUPHAR_ligand1 =
| IUPHAR_ligand1_Comment =
| IUPHAR_ligand_Other =
<!--KEGG, +ix 1–5-->
| KEGG =
| KEGG_Comment =
| KEGG1 =
| KEGG1_Comment =
| KEGGOther =
<!--PubChem, +ix 1–5-->
| PubChem =
| PubChem_Comment =
| PubChem1 =
| PubChem1_Comment =
| PubChemOther =
<!--SMILES, +ix 1–5-->
| SMILES =
| SMILES_Comment =
| SMILES1 =
| SMILES1_Comment =
| SMILESOther =
<!--StdInChI-->
| StdInChI =
| StdInChI_Comment =
| StdInChIKey =
<!--InChI, Key: index 1–5-->
| InChI =
| InChI_Comment =
| InChIKey =
| InChI1 =
| InChI1_Comment =
| InChIKey1 =
| InChIOther =
<!--UNII, +ix 1–5-->
| UNII =
| UNII_Comment =
| UNII1 =
| UNII1_Comment =
| UNIIOther =
<!--non-indexed params-->
| 3DMet =
| Abbreviations =
| Beilstein =
| EC_number =
| EC_number_Comment =
| E_number =
| E_number_Comment =
| Gmelin =
| MeSHName =
| RTECS =
| UNNumber =
}}
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{{Chembox Identifiers}}
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CAS registry number, links to http://www.commonchemistry.org/
CAS registry number comment
Other CAS RN (unformatted)
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ChEBI, links to http://www.ebi.ac.uk/chebi/
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CHeMBL
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ChemSpider ID, links to http://www.chemspider.com/
ChemSpider ID comment
ChemSpider ID verified? If yes, type: {{chemspidercite}}
Other ChemSpider ID
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DrugBank
comment
Other DrugBank
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IUPHAR/BPS
comment
Other IUPHAR
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KEGG entry, links to http://www.genome.jp/kegg/
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PubChem compound ID, links to http://pubchem.ncbi.nlm.nih.gov/
PubChem compound ID comment
Other PubChem compound ID
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SMILES
SMILES comment
Other SMILES
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StdInChI
StdInChI comment
StdInChI Key
StdInChI Key comment
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InChI
InChI comment
Other InChI
InChI Key
InChI Key comment
Other InChI Key
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UNII: Unique Ingredient Identifier, by FDA
UNII comment
Other UNII
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3DMET entry, links to http://www.3dmet.dna.affrc.go.jp/
Abbreviations
Beilstein reference
EC_number (aka EINECS)
E number (food additive code)
links to http://ecb.jrc.ec.europa.eu/esis/
Gmelin ID
UN number
MeSH heading, links to http://www.nlm.nih.gov/mesh/
RTECS number
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| Section2 = {{Chembox Properties
| Properties_ref =
| Formula =
| Formula_ref =
| Formula_comment =
| C= | H= | N= <!--(etc)-->
| Formula_Charge =
| MolarMass =
| MolarMassRound =
| MolarMass_ref =
| MolarMass_notes =
| Appearance =
| Odor = | Odour =
| Density =
| MeltingPt =
| MeltingPtC =
| MeltingPt_ref =
| MeltingPt_notes =
| BoilingPt =
| BoilingPtC =
| BoilingPt_ref =
| BoilingPt_notes =
| SublimationConditions =
| Solubility =
| SolubilityProduct =
| SolubilityProductAs =
| SolubleOther =
| Solvent =
| Solubility1 =
| Solvent1 =
| Solubility2 =
| Solvent2 =
| Solubility3 =
| Solvent3 =
| Solubility4 =
| Solvent4 =
| Solubility5 =
| Solvent5 =
| LogP =
| VaporPressure =
| HenryConstant =
| AtmosphericOHRateConstant =
| pKa =
| pKb =
| IsoelectricPt =
| LambdaMax =
| Absorbance =
| BandGap =
| ElectronMobility =
| SpecRotation =
| MagSus =
| ThermalConductivity =
| RefractIndex =
| Viscosity =
| CriticalRelativeHumidity =
| Dipole =
| OrbitalHybridisation =
| SpecificSurfaceArea =
| PoreVolume =
| AveragePoreSize =
}}
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{{Chembox Properties}} - incomplete list
Reference
Chemical formula
reference
comment
per element (alternative input)
molecule charge
MolarMass
MolarMassRound
MolarMass_ref
MolarMass_notes
Appearance
Odor, Odour
Density
MeltingPt, any text
Number, formatted as Celcius. And is converted to F and K
Also possible: MeltingPtF=, or MeltingPtK=
BoilingPt, any text
Number, formatted as Celcius. And is converted to F and K
Also possible: BoilingPtF=, or BoilingPtK=
SublimationConditions
Solubility in water (Aqueous solution)
SolubilityProduct
SolubilityProductAs
SolubleOther
Solvent
Solubility1
[[{{{Solvent1}}}]]
Solubility2
[[{{{Solvent2}}}]]
Solubility3
[[{{{Solvent3}}}]]
Solubility4
[[{{{Solvent4}}}]]
Solubility5
[[{{{Solvent5}}}]]
LogP
VaporPressure
HenryConstant
AtmosphericOHRateConstant
pKa
pKb
IsoelectricPt
LambdaMax
Absorbance
BandGap
ElectronMobility
SpecRotation
MagSus
ThermalConductivity
RefractIndex
Viscosity
CriticalRelativeHumidity
Dipole
OrbitalHybridisation
SpecificSurfaceArea
PoreVolume
AveragePoreSize
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Complete list
| Section3 = {{Chembox Structure
| Structure_ref =
| CrystalStruct =
| SpaceGroup =
| PointGroup =
| LattConst_a =
| LattConst_b =
| LattConst_c =
| LattConst_alpha =
| LattConst_beta =
| LattConst_gamma =
| LattConst_ref =
| LattConst_Comment =
| UnitCellVolume =
| UnitCellFormulas =
| Coordination =
| MolShape =
| OrbitalHybridisation =
| Dipole =
}}
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{{Chembox Structure}}
Reference in header
Crystal structure
Space group (free text)
Point group
Lattice constant (a, b, c)
α, β, γ angles (don't add the ° sign)
Reference for the lattice values
Comment for lattice (any text)
Lattice volume
Number of formulas
Coordination geometry
Molecular geometry
Orbital hybridisation
Dipole moment
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Complete list
Note: Add units like
kJ·mol<sup>−1</sup>
J·mol<sup>−1</sup>·K<sup>−1</sup>
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| Section6 = {{Chembox Pharmacology
| Pharmacology_ref =
| ATCCode =
| ATCCode_prefix =
| ATCCode_suffix =
| ATC_Supplemental =
| ATCvet =
| Licence_EU =
| Licence_US =
| Legal_status =
| Legal_AU =
| Legal_AU_comment =
| Legal_CA =
| Legal_CA_comment =
| Legal_NZ =
| Legal_NZ_comment =
| Legal_UK =
| Legal_UK_comment =
| Legal_US =
| Legal_US_comment =
| Legal_EU =
| Legal_EU_comment =
| Legal_UN =
| Legal_UN_comment =
| Pregnancy_category =
| Pregnancy_AU =
| Pregnancy_AU_comment =
| Pregnancy_US =
| Pregnancy_US_comment =
| Dependence_liability =
| Addiction_liability =
| AdminRoutes =
| Bioavail =
| ProteinBound =
| Metabolism =
| Metabolites =
| OnsetOfAction =
| HalfLife =
| DurationOfAction =
| Excretion =
}}
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{{Chembox Pharmacology}}
Ordered as shown by template
Pharmacokinetics
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- Complete list
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| Section7 = {{Chembox Hazards
| Hazards_ref =
<!-- (data page) -->
| ExternalSDS =
| GHSPictograms =
| GHSSignalWord =
| HPhrases =
| PPhrases =
| EUClass =
| RPhrases =
| SPhrases =
| RSPhrases =
| MainHazards =
| IngestionHazard =
| InhalationHazard =
| EyeHazard =
| SkinHazard =
| NFPA-F =
| NFPA-H =
| NFPA-R =
| NFPA-S =
| NFPA_ref =
| FlashPt =
| FlashPtC =
| FlashPt_notes =
| FlashPt_ref =
|AutoignitionPt =
|AutoignitionPtC =
|AutoignitionPt_ref=
|AutoignitionPt_notes=
| ExploLimits =
| TLV =
| TLV-TWA =
| TLV-STEL =
| TLV-C =
| LD50 =
| LDLo =
| LC50 =
| LCLo =
| PEL =
| REL =
| IDLH =
| NIOSH_id =
| NIOSH_ref =
}}
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{{Chembox Hazards}} - complete list
link to (data page)#Safety data sheet
link to an external Material safety data sheet (MSDS)
Danger pictograms according to GHS
GHS Signal Word - See Category:GHS templates
GHS Hazard statements
GHS Precautionnary statements
Risk phrases (EU system)
Safety phrases (EU system)
Flammability by NFPA 704, red. See {{NFPA 704 diamond}} documentation
Health, blue. Health hazard code (0–4 or -)
Reactivity, yellow. Reactivity hazard code (0–4 or -)
Special hazards, white. Other hazard codes (like W, OX, RA, -. See list)
Reference for the NFPA fire diamond
Flash point, any text
Temperature, number in C. Can be a range: '50 to 60'. Also _PtF, _PtK. (see: temperatures)
Autoignition point, any text
Temperature, number in C. Can be a range: '50 to 60'. Also _PtF, _PtK. (see: temperatures)
PEL
Threshold Limit Value
Threshold Limit Value: Time Weighted Average
Threshold Limit Value: Short Time Exposure Limit
Lethal dose for half a population either by oral, dermal or intravenous
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All Related input creates a 'see also' list. It is good practice to use article links.
| Section8 = {{Chembox Related
| Related_ref =
| OtherAnions =
| OtherCations =
| OtherFunction =
| OtherFunction_label =
| OtherCompounds =
}}
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{{Chembox Related}} - complete list
Ions
Ions
Label text: "Related {{{OtherFunction_label}}}"
Other compounds
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| Section = {{Chembox Supplement
| data page pagename =
}}
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{{Chembox Supplement}} - complete list
Set data page name, default is: Chembox Properties (data page)
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{{Chembox
| style-left-column-width =
| show_ss_note =
| general_note =
| show_infobox_ref =
<!-- bot maintained fields, do not edit -->
| Verifiedfields =
| verifiedrevid =
| Watchedfields =
}}
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{{Chembox Footer}} - (Chembox internal only; parameters entered in main {{Chembox}})
Set lefthand text column width (default is 40%; see also 'width=' option in {{Chembox}})
Set '=no' will hide the standard state notice
Allows a general note in the bottom box
Set '=no' will hide the infobox reference notice
Bot maintained
Do not edit, add or remove these fields
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Chembox images ordering
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row 1
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ImageFile
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row 2
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ImageFile1
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row 3
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ImageFileL1 |
ImageFileR1
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row 4
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ImageFileL2 |
ImageFileR2
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row 5
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ImageFile2
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row 6
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ImageFile3
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row 7
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ImageFileL3 |
ImageFileR3
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row 8
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ImageFileL4 |
ImageFileR4
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row 9
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ImageFile4
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{{Chembox
| Name =
<!-- Row 1/9 -->{{Chembox image
|ImageFile =
|ImageName =
|ImageSize =
|ImageAlt =
|ImageCaption =
}}
<!-- Row 2/9 -->{{Chembox image
|ImageFile1 =
|ImageName1 =
|ImageSize1 =
|ImageAlt1 =
|ImageCaption1 =
}}
<!-- Row 3/9 -->{{Chembox image sbs
|ImageFileL1 =
|ImageNameL1 =
|ImageSizeL1 =
|ImageAltL1 =
|ImageCaptionL1 =
|ImageFileR1 =
|ImageNameR1 =
|ImageSizeR1 =
|ImageAltR1 =
|ImageCaptionR1 =
}}
| ...(more Chembox parameters)
}}
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Four or less parameters are needed to present temperature data:
|MeltingPt=Decomposes when >
|MeltingPtC=50
|MeltingPt_ref=<ref>[www.example.com]</ref>
|MeltingPt_notes=My notes<ref>[www.chemspider.com]</ref>
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Decomposes when >_50 °C (122 °F; 323 K)[1]_My notes[2]
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The options for conversion:
|MeltingPtC=50
|MeltingPtF=50
|MeltingPtK=50
Temperature range:
|MeltingPtC=50 to 70
|MeltingPtF=50 to 70
|MeltingPtK=50 to 70
|
50 °C (122 °F; 323 K)
10 °C; 50 °F; 283 K
−223.2 °C; −369.7 °F; 50.0 K
50 to 70 °C (122 to 158 °F; 323 to 343 K)
10 to 21 °C; 50 to 70 °F; 283 to 294 K
−223.2 to −203.2 °C; −369.7 to −333.7 °F; 50.0 to 70.0 K
|
| Section = {{Chembox Properties
| MeltingPt =
| MeltingPtC =
| MeltingPtF =
| MeltingPtK =
| MeltingPt_ref =
| MeltingPt_notes =
| BoilingPt =
| BoilingPtC =
| BoilingPtF =
| BoilingPtK =
| BoilingPt_ref =
| BoilingPt_notes =
}}
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{{Chembox Properties}} - all temperature parameters
Any text for melting point value
Temperature, number only. Can be a range: '100 to 200'
number, when in Fahrenheit
number, when in Kelvin
References (always shows, right after calculations or 'any text')
Notes (always shows last; can include references)
Any text for boiling point value
Temperature, number only. Can be a range: '100 to 200'
number, when in Fahrenheit
number, when in Kelvin
References (always shows, right after calculations or 'any text')
Notes (always shows last; can include references)
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| Section = {{Chembox Hazards
| FlashPt =
| FlashPtC =
| FlashPtF =
| FlashPtK =
| FlashPt_ref =
| FlashPt_notes =
| AutoignitionPt =
| AutoignitionPtC =
| AutoignitionPtF =
| AutoignitionPtK =
| AutoignitionPt_ref =
| AutoignitionPt_notes =
}}
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{{Chembox Hazards}} - all temperature parameters
Any text for Flash point value.
Temperature, number only. Can be a range: '100 to 200'
number, when in Fahrenheit
number, when in Kelvin
References (always shows, right after calculations or 'any text')
Notes (always shows last; can include references)
Any text for autoignition temperature value
Temperature, number only. Can be a range: '100 to 200'
number, when in Fahrenheit
number, when in Kelvin
References (always shows, right after calculations or 'any text')
Notes (always shows last; can include references)
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Incomplete list
ATC and Drugbank: Parameters |ATC= and |Drugbank= can appear in only one section each:
- in
|Section1 = {{Chembox Identifiers |Drugbank = ...}}
- in
|Section2 = {{Chembox Pharamacology |ATCCode.. = ...}}
- Preferred alternative parameters
- Names: PIN_hidden, IUPACName_hidden (not used)
- Identifiers EC-number → EC_number
- Identifiers: CASNos → CASNoOther
- All eight similar: CASNos, ChEMBLs, ChemSpiderIDs, ChEbIs, InChIs, PubChems, SMILESs, UNIIs
- PubChem_Ref not used
- EINECSCASNO removed
- Explosive: ExplosiveV → DetonationV
- Pharma: PregCat → Pregnancy_category
- Pharma: PregCat_AU, PregCat_US → Pregnancy_category_AU, Pregnancy_category_US
- Pharma: legal_XX → Legal_XX uppercase L
- Hazards: ExternalMSDS → ExternalSDS
- Hazards: NSFA_Ref → NSFA_ref
- Hazards: EUIndex removed from template
- Hazards: NFPA-O → NFPA-S (NFPA-704 Special, not Other)
- Properties: MassRound → MolarMassRound (into regular name pattern)
- Properties: ExactMass not available in templatediscussed 2012
- Related function: OtherFunctn use OtherFunction
- Related function: Function use OtherFunction_label
- Related function: OtherCpds use OtherCompounds
- Parameters deprecated earlier: Section, Section10, ImageStyleN
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By {{Chembox}} and {{Infobox drug}} settings, a CheMoBot checks articles for parameter validation. The bot then adds and sets templates like {{cascite}} to the article.
A template like {{cascite}} is added and set by CheMoBot automatically after certain edits. Depending on the earlier data checks, the template will be marked "correct" or "changed" (i.e., to be checked). 'changed' articles are categorized for maintenance.
For example, when parameter |CASNo= is changed in the article, the bot sets |CASNo_Ref={{cascite|changed|??}} initially. See
By {{Chembox}} and {{Drugbox}} settings, a bot checks articles for parameter validation. The bot then adds and sets templates like {{cascite}} to the article. Depending on the template settings, articles are categorized for maintenance.
- Usage
A template is added and set by User:CheMoBot automatically after certain edits. Depending on the earlier data checks, the template will be marked "correct" or "changed" (i.e., to be checked). 'changed' articles are categorized.
For example, when parameter |CASNo= is changed in the article, the bot sets |CASNo_Ref={{cascite|changed|??}} initially. See WP:WikiProject Chemicals/Chembox validation.
- Added by the bot (
_Ref=cite templates)
The bot-template is added as input for a purpose-added parameter:
|CASNo=1234-56-7 (editors input)
|CASNo_Ref={{cascite|...|...}} (bot parameter added + template set)
Initially the parameters are set {{cascite|changed|??}}
The primary parameter can have an index (see its documentation):
|CASNo3=1234-56-7
|CASNo3_Ref={{cascite|...|...}}
Indexed parameters like |CASNo1= and |CASNo2= are verified too, and are treated independently. So an article can have: |CASNo={{cascite|correct|CAS}} and |CASNo3={{cascite|changed}} .
- Data 'correct' or 'changed' (parameter #1)
The first parameter is either correct Y or changed N always: {{cascite|correct|CAS}}. Cross-marked articles are categorized as 'changed'. With any other text like monkey N, again the cross is shown and the article is categorized, now sorted under "?".
- Correct by source (parameter #2)
Initially, the bot sets this to |?? (='source unknown').
Parameter #2 has the source that confirms the statement. By confirmation, the parameter can mention the confirming source. When that source is not the standard (as listed above), the input source is mentioned in a superscript linked:
|CASNo_Ref={{cascite|correct|CDC85}} → 1234-56-7 Y[CDC85]
This source name is case-insensitive: CAS=cas.
- Known issues (February 2015)
- {{chemboximage}} is applied by the bot, but not read by the template (article won't show up in the category).
- See also
- {{Chembox}}
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