Users can opt for Search option in the navigation bar to obtain information on EDCs based on their chemical name, chemical identifiers such as PubChem or CAS, or physicochemical properties. Further, one can also fetch the list of top 10 structurally similar EDCs to the query compound using chemical similarity search option.
The results of the query search will display a table containing the chemical name, chemical identifier and the literature identifier containing the supporting evidence on endocrine disruption upon the corresponding EDC exposure specific to humans or rodents. Users can click on the name of an EDC from the resulting table to view the separate page containing the diverse information such as chemical structure, detailed experimental evidence, physicochemical properties, predicted ADMET properties, chemical-gene interaction, molecular descriptors, their presence in chemical lists, and human biospecimens. The result page for a particular EDC also provides an option for the users to download its 2D and 3D structure, resulting table for predicted ADMET properties and molecular descriptors.
Simple searchUsing simple search, users can retrieve EDCs in our database using the chemical name or their corresponding chemical identifiers (PubChem or CAS).
Physicochemical filterUsing physicochemical filter, users can retrieve EDCs 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.
Chemical similarity filterThe chemical similarity filter can be used to obtain top 10 EDCs that are structurally similar to the query compound in our database evaluated based on Tanimoto coefficient.
Users can retrieve EDCs based on the following types of classification using Browse option in the navigation bar.
Users can browse EDCs based on the type of supporting evidence for endocrine disruption from published experiments in humans or rodents.
2. BASED ON ENVIRONMENTAL SOURCEThe browse EDCs option helps the users to fetch the list of EDCs classified under any of the 7 broad categories or 48 sub-categories.
7 BROAD CATEGORIESIn this section, the users can retrieve the list of EDCs in each of the 7 broad categories. The results page provides the list of EDCs and the number of EDCs classified under each broad category.
48 SUB-CATEGORIESIn this section, the users can retrieve the list of EDCs in each of the 48 sub-categories. The results page provides the list of EDCs and the number of EDCs classified under each sub-category.
3. BASED ON CHEMICAL CLASSIFICATIONThe browse option based on chemical classification provides the non-overlapping two-level hierarchical classification of EDCs categorized using the structure and composition of EDCs. The tree map facilitates the users to filter out the set of EDCs based on chemical kingdom or chemical super class. The results page provides the list of EDCs and the number of EDCs present in the particular category.
4. BASED ON SYSTEMS-LEVEL PERTURBATIONS AND ENDOCRINE-MEDIATED ENDPOINTSUsers can browse EDCs based on endocrine-mediated endpoints specific to 7 systems-level perturbations.