Workshop details
OriGene Biosolutions is a premier life science research and training organization dedicated to advancing bioinformatics and data analysis. Tailored solutions for your bioinformatics needs.
3-Day Workshop on Chemoinformatics
About the Workshop
This workshop covers fundamental chemoinformatics concepts including molecular descriptors, chemical databases, similarity searching, and visualization, with hands-on sessions using popular tools.
Who Can Join
Students, researchers, and professionals in chemistry, pharmacology, and bioinformatics.
Prerequisites
Basic knowledge of chemistry and molecular structures. No prior programming required but helpful.
Day 1: Introduction to Chemoinformatics and Chemical Data
- Overview of chemoinformatics and its applications
- Chemical data types and formats (SMILES, SDF, MOL)
- Introduction to chemical databases (PubChem, ChEMBL)
- Molecular descriptors and fingerprints
- Similarity measures (Tanimoto, Dice)
- Tools: RDKit, Open Babel
- Visualizing chemical structures and properties
- Compound clustering and diversity analysis
- Case studies: virtual screening and lead optimization