The search option in the navigation bar can be used to obtain records of specific chemicals based on their names, PubChem identifiers or CAS identifiers. When the mouse pointer hovers over the search icon on the top-right of the page, the seach box opens up. By selecting anywhere on the opened search box, users can type their query into the box. Currently, the search option is limited to ONE entry only. Once the query is entered and the search is inititated, the users will be re-directed to a new page displaying the results (if any) pertaining to the input query in a tabular format containing the chemical name, chemical identifier and the literature identifier containing the supporting evidence. By clicking on the chemical name, users will be taken to the respective chemical information page.
The Advanced Search option can be accessed by hovering over the search icon on the top-right and chosing the 'ADVANCED SEARCH' option appearing below the input box. Users can use the the advanced search option to find for chemicals based on the desired physicochemical properties or chemical similarity.
Physicochemical filter
Using physicochemical filter, users can retrieve chemicals based on physicochemical properties such as molecular weight, logP, topological polar surface area (TPSA), hydrogen bond acceptors (HBA), hydrogen bond donors (HBD), heavy atoms, heteroatoms, and rotatable bonds. Users can chose more than one filter.
Chemical similarity filter
The chemical similarity filter can be used to obtain top 10 chemicals that are structurally similar to the query compound in our database evaluated based on Tanimoto coefficient. The similarity is calculated based on either 'ECFP4' or 'MACCS' chemical fingerprints.
Users can utilize the Browse option in the navigation bar to retrieve chemicals from ViCEKb. The chemicals can be retrieved based on the following types of classification:
Users can fetch the chemicals in ViCEKb that have been classified based on their literature evidence.
Note, the classification of the evidences is hierarchical. If a chemical belongs to more than one evidence type, it is assigned to the higher level. The hierarchy is as follows:
Users can fetch the chemicals in ViCEKb based on their environmental sources that have been classified into 7 broad categories or 42 sub-categories.
Users can fetch the chemicals in ViCEKb based on their reported exposure types that have been classified into 7 categories.
Users can fetch the chemicals in ViCEKb based on the reported ToxCast skin assay target processes. Users can select the chemical name from the displayed results and will be directed to the chemical page containing the ToxCast endpoints, values and descriptions.
Chemical information page for any chemical in ViCEKb contains diverse information such as chemical identification and classification, environmental sources, detailed literature evidence, skin sensitization (guidelines and assays), physicochemical properties, predicted ADMET properties, molecular descriptors, and their presence in various consumer products and chemical lists.
This page shows the various identifiers of the chemical, including the PubChem identifier, CAS identifier, DSSTox identifer, IUPAC name, chemical structure, SMILES, InChI, InChIKey, chemical Kingdom, chemical SuperClass and chemical Class. Users can navigate to the the corresponding chemical page on DSSTox by clicking on the DSSTox id. The 2D and 3D chemical structures can be downloaded in various forms by clicking on the respective file types.
This page shows the various categories of environmental sources of the chemical. Users can quickly look at other chemicals falling in the same category by either clicking on the broad category or sub-category.
This page shows the literature evidence of the chemical, along with the types of reported exposure. Users can quickly navigate to other chemicals based on the evidence category or the exposure type by selecting the respective terms.
This page shows the different skin sensitization guidelines and the ToxCast skin sensitization assays pertaining to the chemical. Users can view the guidelines by clicking on the respective list names. Additionally, users can navigate to the regulated gene pages by clicking the UniProt term.
This page shows the different physicochemical properties of the chemical.
This page shows the predicted ADMET properties of chemical relevant to skin. This table can be downloaded by selecting the download option at the bottom of the page.
This page shows various 1D, 2D and 3D molecular descriptors of the chemical computed using PaDEL. This table can be downloaded by selecting the download option at the bottom of the page.
This page contains the various chemical information from Chemical and Products Database (CPDat). Users can view the functional uses, documented product compositions, presence of chemical in public documentation, presence of chemical in health hazard evaluation reports, and the predicted functions based on Quantitative Structure Use Relationship (QSUR) models.
This page shows the various chemical exposome databases, and regulation/guidelines pertaining to skin sensitivity from public domain. Users can navigate to the corresponding chemical databases by clicking on the database name. Users can additionally go to the chemical information on other databases by clicking on 'Present' in presence column.
ViCEKb is a knowledgebase of chemicals linked with pathogenesis of vitiligo in humans that have been curated from various published case study reports, clinical observation reports and research articles. The authors are not liable for any inaccuracies or omissions of any chemicals or published scientific literature pertaining to vitiligo-triggering chemicals in this resource. Users are advised to exercise their own discretion while judging the weight of evidence for vitiligo-triggering chemicals compiled in this resource. Importantly, our sole goal to build this resource on potential vitiligo-triggering chemicals is to enable future basic research on this topic, and it does not necessarily reflect the views or objectives of our employers or funders.