Pharmacophore-Driven & AI-Integrated Drug Discovery

Pharmacophore ➔ AI-QSAR ➔ AI-Docking ➔ Generative Design ➔ MD ➔ ADMET-AI ➔ Reporting

Learning Outcomes

• Build ligand- and structure-based pharmacophore models with AI-guided screening
• Use ML and deep-learning tools for bioactivity prediction and hit prioritization
• Apply AI-accelerated docking and pose scoring workflows
• Generate and optimize molecules using generative AI models
• Evaluate safety and developability using AI-based ADMET prediction
• Execute an end-to-end, AI-enabled project and prepare a scientific report