Featurizing chemistry for machine learning — methods and a coded example

Gierlich, Christian Henning; Palkovits, Stefan (Corresponding author)

Amsterdam [u.a.] : Elsevier (2022)
Journal Article

In: Current opinion in chemical engineering
Volume: 37
Page(s)/Article-Nr.: 100840

Institutions

• Department of Chemistry [150000]
• Technical Chemistry Teaching and Research Area [154220]
• Chair of Heterogeneous Catalysis and Technical Chemistry [155310]