Browse Hierarchy CHE703P: Computational Ligand-based Drug Discovery

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This module covers the main principles of in silico ligand-based approaches to drug discovery, with a programming component that builds upon the programming skills developed in CHE709. Topics include molecular representations, descriptors and fingerprints, molecular similarity, database searches, application of machine learning to QSAR and ADMET prediction. Tools for the critical assessment of method performance will also be presented.

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