Database

Description of the methods used for molecular optimization in the PFAS-V dataset:

About

The Database page allows for viewing large-scale statistics and distributions for the PFAS Studio V database. This is provided to aid researchers and scientists with designing remediation techniques to target a specific region of the parameter space. By hovering over the plot, you can select a molecule and view the global properties and 2D and 3D structure. At the bottom of the page, the database is available in tabular form. These results can be downloaded by selecting the molecule(s) with the checkbox and clicking export. Lastly, under substructure search, the SMILES string can be searched to find all structures that contain that substructure.

Method

The properties are described under the Global Properties.

Find

The Database property viewer can be found in the left side menu.