B.Pharm Semester 8: Computer Aided Drug Design notes. Computer Aided Drug Design uses computational representations to study molecular properties and interactions. Treat a prediction as a hypothesis that requires evaluation.
What to revise
- QSAR: connect descriptors, response data and model validation.
- Docking: distinguish a predicted pose from measured binding evidence.
- Screening: compare the purpose of virtual filtering and experimental follow-up.
A quick self-check
Explain the workflow for one computational example in your notes: input, model, output and validation. State one limitation of the prediction.
Notes and study links
- Computer Aided Drug Design — B.Pharm Semester 8 notes
- Drug Discovery, Lead Identification and Analogue Design — notes PDF
- Quantitative Structure Activity Relationship (QSAR) — notes PDF
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