Introduction to Cheminformatics
Welcome to Introduction to Cheminformatics! An open source curriculum taught by Sul to teach the community about chemistry, computer science, knowledge graphs, artificial intelligence, english and a lot more.
This course will go over foundational material first with some homework material. If you would like help with your homework then please make it an issue in the github: https://github.com/Sulstice/Cheminformatics-Teaching-Material and I'm sure myself or someone in the community will be able to help you.
The course will be broken down into different sections so please follow them sequentially to get a better understanding of the next one. At the end of the course will be a small project in which you can help the Global-Chem Community: https://github.com/Global-Chem/global-chem by contributing a node in the open source realm.
It is recommended that a student taking this course has some knowledge of python or coding at a sophomore college level (Data Structures), some organic/analytical chemistry level II background, some multivariable calculus, and statistics.
- Introduction to SMILES, IUPAC, Hill Notation, InCHlKey, Fingerprints Community-Based Chemical Naming Systems.
- Introduction to SMARTS and pattern matching between SMILES strings using RDKit.
- Introduction to Artificial Intelligence in Chemical Nomenclature
- Introduction to Large Chemical Databases
- Introduction to Small Chemical Databases
- Introduction to Molecular Fingerprints and Morgan Radius
More Coming Soon...