Andreas H. Göller

Torsional barriers in biphenyl, 2,2′-bipyridine and 2-phenylpyridine

Andreas H. Göller, U.‐W. Grummt · Chemical Physics Letters · 2000 · 128 citations

Molecular Chemistry, Torsional Barriers, Chemistry

Best of Both Worlds: Combining Pharma Data and State of the Art Modeling Technology To Improve <i>in Silico</i> p<i>K</i>_a Prediction

Robert Fraczkiewicz, Mario Lobell, Andreas H. Göller et al. · Journal of Chemical Information and Modeling · 2014 · 103 citations · Full text

Pharmaceutical Research, Engineering, Machine Learning +23

Prediction of Oral Bioavailability in Rats: Transferring Insights from in Vitro Correlations to (Deep) Machine Learning Models Using in Silico Model Outputs and Chemical Structure Parameters

Sebastian Schneckener, Sergio Grimbs, Jessica Hey et al. · Journal of Chemical Information and Modeling · 2019 · 96 citations

MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information

Wouter Heyndrickx, Lewis Mervin, Tobias Morawietz et al. · Journal of Chemical Information and Modeling · 2023 · 94 citations · Full text

Engineering, Machine Learning, Machine Learning Tool +19

σ*-Aromaticity of Substituted 1<i>H</i>-Phosphirenium Cations and Substituted Silacyclopropenes

Andreas H. Göller, H. Heydt, Timothy Clark · The Journal of Organic Chemistry · 1996 · 86 citations

Inorganic Chemistry, Analogous Saturated Rings, Relative Stabilities +14