Weekly Notes for Week 16

• The course content will not be based on one book only. Besides the books to be listed on the course webpage original research article will be used. The book chapters, notes, and articles needed will be provided online (probably via a password protected website).

• Topics of week 16: Introduction to the course, Double Pushout Approach, Starting with “Generative Chemistries”.

• We will discuss Generative Chemistries”: Double Pushout approach, graph grammars, exploring chemical spaces via graph grammars, (sub-)graph Iso-/Monomorphism, …”

• The project work for the course will consists of mandatory assignments (theory and practice). A preliminary version of the first mandatory assignment will already be published end of the week or next week. If you want, you can already start looking at the examples from https://cheminf.imada.sdu.dk/mod/index.html

• Reading Material (will be uploaded during week 16/17):
  • Recommended Reading: Fundamentals of Algebraic Graph Transformation, Ehrig et. al, 2006
  • Mandatory Reading: Graph Morphisms and Structure Comparison, Chapter 3 of PhD Thesis by J.L. Andersen
• A fun exercise can be found here