Appendix A — Visualization Page Details

A.1 Chemical Detail Page Tables

Table A.1: Description of Tables on the Chemical Detail Page.
Table Name Description Table Columns Column Description
Products The products table features a list of all products contain a specific chemical. Product Product title, click the link to view the Product page.
Document Data document name, click the link to view the Data Document page.
PUC Product Category assigned to the product, click the link to view the Product Category Detail page.
PUC Kind The kind of Product Use Category, based on the regulatory guidelines regarding the manufacture and ingredient reporting requirements for the products.
Classification Method Shows the classification method of a product (how the product was assigned to the specified PUC).
Documents The Documents table shows all composition data documents that contain a specific chemical. Document Data Document name, click the link to view the data document page.
Data Type Data type for the document. The type corresponds to the document format and type of information captured from each document.
Document Date The date the document was created or last updated, as described on the original source document.
Function Categories The Function Category table shows all documents that contain functional use data related to a specific chemical. Data Type Data type for the document. The type corresponds to the document format and type of information captured from each document. Functional Use data appears in Composition, Functional Use and Chemical Presence List type documents.
Chemical Name Chemical name associated with original data source, or curated DTXSID record, as applicable.
Document Data document containing the specific functional use associated with this chemical, click the link to view the data document page.
Reported Functional Use Functional use of the chemical in a product, as reported by the original data source.
Harmonized Functional Use Functional Category assigned via manual curation.

A.2 PUC Detail Page Tables

Table A.2: Description of Tables on the PUC Detail Page.
Table Name Description Table Columns Column Description
Products The products table features a list of all products that have been assigned to a specific PUC. Title Product title, click the link to view the Product page.
Brand Name Product detail extracted for the brand name (if applicable).
Classification Method Shows the classification method of a product (how the product was assigned to PUC).
Documents The Documents table shows all composition data documents related to a specific PUC. Document Data document name, click the link to view the data document page.
Data Type Data type for the document. The type corresponds to the document format and type of information captured from each document. All documents will have the "Composition" data type.
Document Date The date the document was created or last updated, as described on the original source document.
Chemicals The Chemicals table shows all chemicals found within data documents related to a specific PUC. DTXSID DSSTox substance identifier (DTXSID) used on the EPA CompTox Chemicals Dashboard, links to the Chemical Detail page.
Curated CAS Curated CAS Registry Number Associated with DTXSID.
Curated Chemical Name Curated Chemical Name Associated with DTXSID.
Count Number of times chemical appears in data documents associated with this PUC.
Function Category The Function Category table shows all functional use data documents related to a specific PUC. Document Data document containing the specific chemical and functional use associated with this PUC, click the link to view the data document page.
Chemical Name Chemical name associated with original data source, or curated DTXSID record, as applicable.
CAS CAS Registry Number associated with original data source, or curated DTXSID record, as applicable.
Reported Function Category Functional use of the chemical in a product, as reported by the original data source.
Harmonized Function Category Functional use category assigned via manual curation.

A.3 FC Detail Page Tables

Table A.3: Description of Tables on the Function Categories (FC) Detail Page.
Table Name Description Table Columns Column Description
Products The products table features a list of all products containing chemicals that have been assigned to a specific functional use category. Product Name Product title, click the link to view the Product page.
Data Document Associated Data document name, click the link to view the data document page.
Product Use Categories Product Category assigned to the product, click the link to view the Product Category Detail page.
Classification Method Shows the classification method of the product (how the product was assigned to the specified PUC).
Documents The Documents table shows all data documents related to a specific functional use category. Data Type Data type for the document. The type corresponds to the document format and type of information captured from each document. FC data appears in Composition, FC and Chemical Presence List type documents.
Document Data document name, click the link to view the Data Document page.
Document Date The date the document was created or last updated, as described on the original source document.
Reported FC Functional use of the chemical in a product, as reported by the original data source.
Chemicals The Chemicals table shows all chemicals found within data documents related to a specific FC. DTXSID DSSTox substance identifier (DTXSID) used on the EPA CompTox Chemicals Dashboard, links to the Chemical Detail page.
Curated CAS Curated CAS Registry Number Associated with DTXSID, links to the Chemical Detail page.
Curated Chemical Name Curated Chemical Name Associated with DTXSID.

A.4 List Presence Keyword Detail Page Tables

Table A.4: Description of Tables on the Chemical List Presence Keyword Detail Page
Table Name Description Table Columns Column Description
Documents The Documents table shows all data documents related to a specific chemical presence tag. Document Title Associated Data document name, click the link to view the Data Document page.
Tags All chemical presence tags that appear in the associated data document at the chemical level.
Chemicals The Chemicals table shows all chemicals found within data documents related to a specific functional use category. DTXSID DSSTox substance identifier (DTXSID) used on the EPA CompTox Chemicals Dashboard, links to the Chemical Detail page.
Curated CAS Curated CAS Registry Number Associated with DTXSID, links to the Chemical Detail page.
Curated Chemical Name Curated Chemical Name Associated with DTXSID.

A.5 Data Document Tables

Table A.5: Data available on the Data Document page.
Data Data Type Description
Data Document Title Document Metadata The title of the data document. e.g., if the data document is a journal article or report, this might be the title of the article or report; if the data document is an MSDS sheet, this may be the name of the product represented in the MSDS sheet. If no title is provided when the data document is registered by the curator, the title defaults to be the same as the file name of the data document.
Data Document Subtitle Document Metadata The document subtitle. May also contain information specific to the document table or figure extracted.
Organization Document Metadata Organization associated with the document. Can be the journal, manufacturer, organization that published a report, governing body, etc.
Data Source Document Metadata The highest-level organizational category for documents in ChemExpo. Documents contained within a ChemExpo data source may come from a single source, have the same data type, or have other characteristics in common. Data source name may refer to the organization supplying the data (e.g., Walmart) or the organization which collected the data (e.g., Danish EPA).
Data Group Document Metadata The second level of organization for documents. A data group belongs to only one data source, and a document may belong to only one data group. All documents within the data group belong to the same data group type.
Data Group Type Document Metadata An internal curation classifier used to group documents that contain the same type of information. E.g., composition, functional use, chemical presence.
Document Type Document Metadata Indicates the type of document format, as obtained from the original source. i.e., MSDS, journal article, governmental Report.
EPA Registration Number Document Metadata EPA-assigned identifier applies to documents about specific pesticides or disinfectants.
HERO ID Document Metadata Reference ID for EPA’s Health & Environmental Research Online (HERO) Database.
PMID Document Metadata The PubMed ID, provided if the source document is an article in the PubMed library.
Author Document Metadata The name of the author of an article, report, etc., as obtained from the original source.
DOI Document Metadata Digital Object Identifier (DOI) used to permanently identify an article or document and provide an external link.
Document URL Document Metadata External URL that links to the original document or page the document was downloaded from. URLs may degrade over time but were active at the time the data was originally accessed.
Extracted Text Document Metadata Refers to metadata extracted from the source document that is not chemical specific.
Product Name Document Metadata Name of data record associated with a Chemical Composition document that contains product-relevant information such as manufacturer, brand, UPC, size, item description, product images, etc. There may be multiple products associated with a single composition document, as products are based on unique Universal Product Codes (UPC).
Document Date Document Metadata The date the document was created or last updated, as described on the original source document.
Revision Number Document Metadata The Revision or Version number as reported on original source.
Reported Chemical Name Chemical Chemical name as provided on original source document.
Reported CAS Chemical Chemical CAS Registry Number (CASRN) as provided on original source document.
Curated Chemical Name Chemical Curated Chemical Name associated with DTXSID, provided by DSSTOX. The curated chemical name may be different than the reported chemical name.
Curated CAS Chemical Curated Chemical CAS Registry Number (CASRN) associated with DTXSID, provided by DSSTOX. The curated CAS may be different than the reported CAS.
DTXSID Chemical DSSTox Substance Identifier. Unique substance identifier, provided by DSSTOX.
Provisional Flag Chemical Indicates whether the chemical record was provisionally assigned a DTXSID chemical identifier. [Yes/No].
Raw Composition Chemical Composition Raw weight fraction/composition data, as reported on the source document. Unit type may be reported as percent, decimal fraction, or other form.
Cleaned Weight Fraction Chemical Composition Cleaned weight fraction data. Raw Composition data is curated to a harmonized form (decimal fraction between 0-1).
Ingredient Rank Chemical Composition The numerical order the chemical ingredient appears in an ingredient list.
Reported Function Category Chemical Function Functional use of the chemical in a product, as reported on the original source document.
Harmonized Function Category Chemical Function Harmonized identifiers describing the function a specific chemical serves (for example: fragrance, cleaning agent, filler, etc. in a product. Function Categories are obtained from OECD or developed by EPA, and are assigned via manual curation.
Keywords Applied Chemical Presence This section lists all chemical presence tags associated with any chemicals that appear in the document.
Chemical Presence Keyword Chemical Presence Descriptive keywords assigned to chemical records, that are used to convey information about general chemical use.
Detected Flag Chemical Presence Indicates whether a chemical was measured or identified in environmental media or consumer products. “Yes” means that the chemical was detected by the study, while “No” could mean that the chemical was tested for, but not found; below the limit of detection for the instrumentation used; or instances where a measurement was not reported due to issues with measuring equipment, QA concerns, or other reason.
Component Composition or Chemical Presence Used to separate reported chemicals based on components, as reported in the source document. For example, by product component, for products with multiple parts or items in a set.