Ligand-Based Drug Design and Virtual Screening
Ligand-Based Drug Design and Virtual Screening focuses on using information from known bioactive compounds to identify and design new drug candidates without requiring the target’s 3D structure. This session highlights key techniques such as Quantitative Structure-Activity Relationship (QSAR) modeling, pharmacophore generation, and molecular similarity analysis to predict the activity of novel molecules. Virtual screening of large compound libraries based on ligand features enables rapid hit identification and prioritization. Emphasis is placed on the integration of machine learning, cheminformatics tools, and experimental data to enhance accuracy and reduce false positives in the drug discovery pipeline.
• Principles of Ligand-Based Drug Design (LBDD)
• Pharmacophore Modeling and 3D Alignment Techniques
• Quantitative Structure-Activity Relationship (QSAR) Models
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Ligand-Based Drug Design and Virtual Screening Conference Speakers
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