Accessing SwissADME

Accessing and Inputting Molecules into SwissADME

Open your web browser and navigate to: SwissADME

No registration is required—the tool is freely available.

Inputting Molecules

The interface is simple. You can either draw a molecule directly or, more commonly, paste a list of molecules into the large text box. The easiest format to use is a list of SMILES strings, which you learned about in the previous tutorial.

A. Drawing a Molecule (Using MarvinJS Sketcher) 

1. Click on the molecular sketcher (MarvinJS) on the left side of the page. 

2. Draw your molecule or modify an existing structure. 

3. Click "Transfer to SMILES" to add it to the input list.

B. Entering SMILES Notation 

1. In the SMILES list (right side), type or paste the Simplified Molecular Input Line Entry System (SMILES) of your compound.

Example: CC(=O)OC1=CC=CC=C1C(=O)O (Aspirin). (Figure 1)

2. Optionally, add a name after the SMILES (e.g., CC(=O)OC1=CC=CC=C1C(=O)O Aspirin).

C. Uploading a File

1. Click "Choose File" to upload an SDF or SMILES file containing multiple molecules (Figure 2).

2. Click on "Add"

Running the Analysis

1. After inputting your molecule(s), click the "Run" button.

2. Results are generated in 1–5 seconds per molecule and displayed in individual panels.