admetSAR 3.0
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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
