Andreas H Göller
16PUBLICATIONS
27CO-AUTHORS
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Publications (16)
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|Mar 06, 2026
Unphysical Structure Collapse in Quantum Mechanics Calculations With Continuum Solvation.Andreas H Göller, Dieudonné T Tshitenge
|Mar 05, 2025
Atom-based machine learning for estimating nucleophilicity and electrophilicity with applications to retrosynthesis and chemical stability.Nicolai Ree, Jan M Wollschläger, Andreas H Göller
|Aug 29, 2023
MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information.Wouter Heyndrickx, Lewis Mervin, Tobias Morawietz
|Feb 23, 2023
Predictive Modeling of PROTAC Cell Permeability with Machine Learning.Vasanthanathan Poongavanam, Florian Kölling, Anja Giese
|Dec 19, 2022
What the Heck?-Automated Regioselectivity Calculations of Palladium-Catalyzed Heck Reactions Using Quantum Chemistry.Nicolai Ree, Andreas H Göller, Jan H Jensen
|Jul 30, 2021
Ensemble completeness in conformer sampling: the case of small macrocycles.Lea Seep, Anne Bonin, Katharina Meier
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Frequent Collaborators
3 joint publications
Gisbert Schneider
2 joint publications
Jan H Jensen
1 joint publications
Arndt R Finkelmann
1 joint publications
Daria Goldmann
1 joint publications
Lara Kuhnke
1 joint publications
Jakob Seibert
1 joint publications
Andreas Hansen
1 joint publications
Stefan Grimme
1 joint publications
Alexander Hillisch
1 joint publications
Eric Marsault
