Chemistry with Python - an Introduction to RDKit
Learn how to perform basic chemistry operations with Python and RDKit.
0:00 Intro
0:25 Project setup
0:45 The SMILES format
2:04 Importing molecules
5:59 Operations on molecules
10:25 Molecular descriptors
14:15 Lipinski's rule of five
16:13 Summary
WHO AM I:
I'm Bernhard, a software engineer working in Vienna, Austria. I make videos about technology, productivity and engineering.
LINKS:
RDKit documentation: https://www.rdkit.org/docs/
Drugbank: https://go.drugbank.com/
SMILES format: https://en.wikipedia.org/wiki/Simplif...
Lipinski's rule of five: https://en.wikipedia.org/wiki/Lipinsk...
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