Drug metabolism prediction

Enter a SMILES string or draw a molecule

📋 Example molecule

Aspirin (Acetylsalicylic acid)

CC(=O)OC1=CC=CC=C1C(O)=O

Prediction information

Our prediction tool uses advanced algorithms to forecast drug metabolism pathways with precision and accuracy.

  • 1.Predict metabolites of compounds in vivo.
  • 2.Assess potential toxicity of metabolites.
  • 3.Evaluate oral bioavailability.
  • 4.Suggest optimization for candidate compounds based on sites of metabolism.

Modification methods

🚀 Quick modification

• Target-specific optimization for individual metabolic sites
• Fragment-based molecular replacement using similarity search
• Completion time: 1-2 minutes
• Interactive selection from metabolism results table

🎯 Precise modification

• Comprehensive optimization for all metabolic sites
• 3D shape similarity-based molecular design
• Completion time: ~1 hour
• Email notification available for result delivery