📚 Syllabus & Course Curriculum
Drug Discovery & Pharmaceutical Sciences
Module-by-module breakdown of Analysis of Drug like Small Molecule using ChemmineR: A Cheminformatics Toolkit for R, from foundations to a certified capstone project.
Structures
• SDF and SMILES formats, and importing them with ChemmineR
• SDFset objects, validity checking and removing malformed structures
• Standardisation: salts, tautomers and charge states before any comparison
Descriptors
• Atom pair descriptors and fingerprints as implemented in ChemmineR
• Physicochemical properties, and Lipinski and drug-likeness filtering
• What a fingerprint captures and the structural information it discards
Similarity
• Tanimoto coefficient and the threshold conventions used in practice
• Similarity searching against a compound library
• The similarity property principle and the activity cliffs that violate it
Clustering
• Binning and hierarchical clustering of compound sets
• Maximum common substructure and scaffold-based grouping
• Visualising chemical space and the distortion any 2D projection introduces
Screening
• Virtual screening workflows and enrichment assessment
• Diversity selection and cherry-picking a subset for assay
• ChemMine Tools and integration with the wider R analysis workflow
Earn government-registered certification in Analysis of Drug like Small Molecule using ChemmineR: A Cheminformatics Toolkit for R
e-Certificate and e-Marksheet issued on successful completion.
