RDKit Introduction - Search Videos

Chemistry with Python - an Introduction to RDKit

YouTubeBernhard Wannasek

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 ...

58.6K viewsApr 25, 2021

RDKit: chemical data engineering using Python

RDKit: chemical data engineering using Python

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