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Andreas H. Göller | Researchclopedia

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Andreas H. Göller

Bayer (Germany)ORCID

115

Works

2,454

Citations

29

h-index

46

i10-index

Research Topics

Computational Drug Discovery Methods Machine Learning in Materials Science Analytical Chemistry and Chromatography

Affiliations

University of Copenhagen2020–2020

Helmholtz Institute Jena2001–2001

University of Nottingham2008–2008

Bayer (United States)2004–2022

University of Kaiserslautern1998–1998

Top Works

Predicting drug metabolism: experiment and/or computation?

Johannes Kirchmair,Andreas H. Göller,et al.

2015495 citations

Libraries and Information Services

Pharmacogenetics and Drug Metabolism

Bayer’s in silico ADMET platform: a journey of machine learning over the past two decades

Andreas H. Göller,Lara Kuhnke,et al.

2020208 citations

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

Andreas H. Göller,U.‐W. Grummt

2000129 citations

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

Robert Fraczkiewicz,Mario Lobell,et al.

2014105 citations

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

Wouter Heyndrickx,Lewis Mervin,et al.

2023100 citations

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,et al.

201998 citations

CypScore: Quantitative Prediction of Reactivity toward Cytochromes P450 Based on Semiempirical Molecular Orbital Theory

Matthias Hennemann,Arno Friedl,et al.

200991 citations

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

Andreas H. Göller,H. Heydt,et al.

199686 citations

Towards full Quantum‐Mechanics‐based Protein–Ligand Binding Affinities

Stephan Ehrlich,Andreas H. Göller,et al.

201768 citations