A QM-AI Approach for the Acceleration of Accurate Assessments of Halogen-π Interactions by Training Neural Networks. - Marc U. Engelhardt; Finn Mier; Markus O. Zimmermann; Frank M. Boeckler (J. Chem. Inf. Model., 2025)

Expanding and Enhancing Neural Network-Based QM-AI Models for the Accurate Prediction of Halogen-π Interaction Energies in Protein Contexts. - Marc U. Engelhardt; Finn Mier; Markus O. Zimmermann; Frank M. Boeckler (J. Chem. Inf. Model., 2026)