I-Mole Lab provides comprehensive in-silico drug discovery services that support lead identification and optimization.
1. Virtual Screening
• High-throughput screening of large compound libraries.
• Prioritization of compounds based on binding affinity and drug-likeness.
2. ADMET & QSAR Analysis
• Prediction of pharmacokinetic and toxicity properties.
• Quantitative modeling of structure–activity relationships.
3. Toxicity & Chemical Analysis
• In-silico toxicity prediction to reduce experimental costs.
• Density Functional Theory (DFT) analysis to study electronic properties.
• Prediction of chemical reaction pathways and stability.
4. Aptamer Design
• Design and optimization of aptamers with high specificity and affinity.