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Access the Evaluation Module: From the main navigation, select the " ADMET Evaluation", click on the " GET STARTED" (Figure 1) option to access the single molecule analysis interface.
Figure 1: How to access the evaluation module for single-molecule evaluation.
Input Molecular Structure: Enter the SMILES string or draw the chemical structure using the molecular editor.
Direct Input: Paste your SMILES strings directly into the text box or draw the molecule (Figure 2).
Figure 2: Molecular structure insertion.
Let's predict ADMET properties for Aspirin.
This is the SMILES for Aspirin CC(=O)Oc1ccccc1C(=O)O.
Enter the SMILES string as illustrated in Figure 3.
It's good practice to add a name after the SMILES string for easier identification in the results.
Paste the SMILES string of Aspirin and click on Submit
The system will automatically standardise the input structure and compute all available endpoints.
Once processing is complete, the results will be displayed in an organised tabular format with additional visualisations, including a 2D molecular structure and a radar plot summarising physicochemical properties.
Figure 3: Insertion of SMILES string for Aspirin.
You can download the results as CSV or PDF (Figure 4)
Figure 4: Aspirin ADMET result.
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