SbD4Skin by EosCloud: Integrating Multi-View Molecular Representation for Predicting Skin Sensitization, Irritation, and Acute Dermal Toxicity

This tool is built on quantitative structure-property relationship (QSPR) models for skin toxicity endpoints. Within this web-tool, the user can import compounds of interest by either drawing molecules using an integrated chemical sketcher, uploading a list of molecules in SMILES format, or uploading an SDF file containing multiple compounds. Then, the user should select one or more endpoints from the available checkbox list. The available endpoints are acute dermal toxicity of small molecules, skin irritation potential, and skin sensitization potential. Upon submission, predictions are generated within seconds. The results include the predicted class, the probability of the predicted class, and whether the prediction is reliable, according to the applicability domain of the model. All results can be downloaded per model for further analysis.

You can find instructions on how to use the tool here

Chemical Sketcher

List of SMILES

3D Visualization

List of uploaded SMILES