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: www.rdkit.org/docs/
Drugbank: go.drugbank.com/
SMILES format: en.wikipedia.org/wiki/Simplified_molecular-input_l…
Lipinski's rule of five: en.wikipedia.org/wiki/Lipinski%27s_rule_of_five