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ADMET Pro

ADMET Pro is an AI-based, highly accurate tool for predicting ADMET properties of small molecules.

MoleculeGEN ADMET Introduction Image

📄️ User Inputs

The user input area is marked in Figure 1 by the blue rectangle. The user inputs the molecules for which the ADMET properties are to be predicted. This can be done either one molecule at a time, with a single SMILES string for the intended molecule entered in the “Enter a SMILES string” field (Figure 1, “1”), or as a “.csv” file containing the SMILES strings for a set of molecules in a single column via the “Browse” button (Figure 1, “2”). The “Download Sample” option (Figure 1, “3”) provides an example of the input file. Once an input “.csv” file is selected, the column containing the SMILES strings can be specified by the user in the “SMILES column header” field (Figure 1, “4”). This enables the use of input files with multiple columns of data if desired.

📄️ Job Submission

If a job is submitted via the “Enter a SMILES string” option, a progress screen is shown while the job is processing (Figure 2). If a job is submitted via the “Browse” option, the job is added to the submitted jobs list with a message acknowledging the successful submission (Figure 3). As shown in Figure 3, completed jobs have a status of either “SUCCESS” or “FAILURE”, while jobs in progress have a “RECEIVED” status. The refresh icon at the top right of the jobs table can be used to check for completion of a “RECEIVED” job.