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Chemical Coding Course

Chemical Coding Course
flexible workload of 4 to 360h
valid certificate in your country

What will I learn?

Gain hands-on expertise in encoding, standardising, and validating molecular data using InChI, InChIKey, and SMILES notations. Master handling stereochemistry, tautomers, charges, and create robust ID naming conventions. Develop automated pipelines with RDKit, Open Babel, and APIs to produce clean CSV files, perform integrity checks, and resolve database issues for dependable datasets in chemistry projects.

Elevify advantages

Develop skills

  • Encode molecular structures swiftly by generating and interpreting InChI, InChIKey, and SMILES.
  • Standardise molecules effectively by normalising salts, tautomers, and charges using precise protocols.
  • Automate chemical data processing with RDKit and Open Babel pipelines for pristine CSV and TSV outputs.
  • Validate data records through structural quality checks, deduplication, and stereochemistry corrections.
  • Extract high-quality datasets by querying PubChem, ChEMBL, and DrugBank APIs proficiently.

Suggested summary

Before starting, you can change the chapters and the workload. Choose which chapter to start with. Add or remove chapters. Increase or decrease the course workload.
Workload: between 4 and 360 hours

What our students say

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Very great course. Lots of rich information.
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