Project Details
Projekt Print View

Mapping the Chemical Space of Nitrogen-Heteropolycycles (C13*)

Subject Area Theoretical Chemistry: Electronic Structure, Dynamics, Simulation
Term since 2025
Project identifier Deutsche Forschungsgemeinschaft (DFG) - Project number 281029004
 
The goal of this project is the development of a virtual map of N-heteropolycycles. The map represents compounds ordered by similar chemical structures, synthesis, molecular properties and applications. We will develop a comprehensive database of N-heteropolycyclic compounds and use it to train the planned machine learning models. In collaboration with other CRC projects, we will focus on downstream applications, namely charge transport and photophysics.
DFG Programme Collaborative Research Centres
 
 

Additional Information

Textvergrößerung und Kontrastanpassung