admetSAR 3.0: about

1. ADMET Search

The search module supports both SMILES strings and draw molecules as input.

Figure 1. SMILES string input

Figure 2. Draw molecule input

The search results display interface is as follows:

Figure 3. Search results preview

Figure 4. Search results

2. ADMET Prediction

The ADMET prediction module supports single molecule and batch property prediction.

Figure 5. Single molecule and batch prediction

The prediction results display interface is as follows:

Figure 6. Draw molecule input

Figure 7. Prediction results preview

Figure 8. Application domains and prediction results download

Figure 9. Prediction results display

3. ADMET Optimization

The ADMET optimization module supports transformation rule-based and scaffold hopping-based optimization.

Figure 10. Optimization guidance

ABOUT