Andreas H. Göller

2.5k total citations · 1 hit paper
56 papers, 1.7k citations indexed

About

Andreas H. Göller is a scholar working on Computational Theory and Mathematics, Materials Chemistry and Molecular Biology. According to data from OpenAlex, Andreas H. Göller has authored 56 papers receiving a total of 1.7k indexed citations (citations by other indexed papers that have themselves been cited), including 25 papers in Computational Theory and Mathematics, 18 papers in Materials Chemistry and 17 papers in Molecular Biology. Recurrent topics in Andreas H. Göller's work include Computational Drug Discovery Methods (25 papers), Machine Learning in Materials Science (13 papers) and Metabolomics and Mass Spectrometry Studies (7 papers). Andreas H. Göller is often cited by papers focused on Computational Drug Discovery Methods (25 papers), Machine Learning in Materials Science (13 papers) and Metabolomics and Mass Spectrometry Studies (7 papers). Andreas H. Göller collaborates with scholars based in Germany, Switzerland and Denmark. Andreas H. Göller's co-authors include U.‐W. Grummt, Gisbert Schneider, Timothy Clark, Alexander Hillisch, Robert C. Glen, Bernard Testa, Ian D. Wilson, Jens Kunze, Johannes Kirchmair and Dieter Lang and has published in prestigious journals such as Angewandte Chemie International Edition, The Journal of Physical Chemistry B and Nature Reviews Drug Discovery.

In The Last Decade

Andreas H. Göller

56 papers receiving 1.6k citations

Hit Papers

align trajectories

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

Predicting drug metabolism: experiment and/or computation?

2015 359 citations Johannes Kirchmair, Andreas H. Göller et al. Nature Reviews Drug Discovery profile →

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name	h						Papers	Cites
Andreas H. Göller Germany	23	675	625	519	399	249	56	1.7k
Stefan Senger United Kingdom	15	969 1.4×	1.1k 1.7×	373 0.7×	307 0.8×	113 0.5×	28	1.9k
Patric Schyman United States	19	312 0.5×	487 0.8×	429 0.8×	299 0.7×	193 0.8×	34	1.6k
Peter W. Kenny United Kingdom	25	708 1.0×	801 1.3×	641 1.2×	225 0.6×	96 0.4×	47	1.7k
Antonio Llinàs Sweden	18	363 0.5×	397 0.6×	683 1.3×	651 1.6×	80 0.3×	37	1.9k
Neysa Nevins United States	16	1.2k 1.8×	1.5k 2.4×	596 1.1×	718 1.8×	107 0.4×	26	2.8k
Seung Joo Cho South Korea	23	505 0.7×	744 1.2×	691 1.3×	227 0.6×	72 0.3×	138	2.0k
Michael C. Hutter Germany	24	297 0.4×	1.0k 1.7×	210 0.4×	222 0.6×	365 1.5×	67	1.6k
Patrik Rydberg Denmark	26	762 1.1×	897 1.4×	257 0.5×	268 0.7×	761 3.1×	43	1.9k
Tiqing Liu United States	23	824 1.2×	1.3k 2.1×	271 0.5×	630 1.6×	110 0.4×	29	2.6k
Jon A. Erickson United States	16	481 0.7×	621 1.0×	582 1.1×	137 0.3×	146 0.6×	31	1.5k

Countries citing papers authored by Andreas H. Göller

Since Specialization

Citations

This map shows the geographic impact of Andreas H. Göller's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Andreas H. Göller with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Andreas H. Göller more than expected).

Fields of papers citing papers by Andreas H. Göller

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Andreas H. Göller. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Andreas H. Göller. The network helps show where Andreas H. Göller may publish in the future.

Co-authorship network of co-authors of Andreas H. Göller

This figure shows the co-authorship network connecting the top 25 collaborators of Andreas H. Göller. A scholar is included among the top collaborators of Andreas H. Göller based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Andreas H. Göller. Andreas H. Göller is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

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20 of 20 papers shown

Göller, Andreas H., et al.. (2025). Atom-based machine learning for estimating nucleophilicity and electrophilicity with applications to retrosynthesis and chemical stability. Chemical Science. 16(13). 5676–5687. 2 indexed citations

Grüber, Andrea, et al.. (2024). A deep neural network: mechanistic hybrid model to predict pharmacokinetics in rat. Journal of Computer-Aided Molecular Design. 38(1). 7–7. 8 indexed citations

Göller, Andreas H., et al.. (2024). Quantum chemical calculations of nitrosamine activation and deactivation pathways for carcinogenicity risk assessment. Frontiers in Pharmacology. 15. 1415266–1415266. 3 indexed citations

Göller, Andreas H., et al.. (2024). Comparative assessment of physics-based in silico methods to calculate relative solubilities. Journal of Computer-Aided Molecular Design. 38(1). 36–36. 1 indexed citations

Montanari, Floriane, et al.. (2023). pH-dependent solubility prediction for optimized drug absorption and compound uptake by plants. Journal of Computer-Aided Molecular Design. 37(3). 129–145. 4 indexed citations

Grüber, Andrea, et al.. (2023). Prediction of Human Pharmacokinetics From Chemical Structure: Combining Mechanistic Modeling with Machine Learning. Journal of Pharmaceutical Sciences. 113(1). 55–63. 14 indexed citations

Göller, Andreas H.. (2022). Reliable gas-phase tautomer equilibria of drug-like molecule scaffolds and the issue of continuum solvation. Journal of Computer-Aided Molecular Design. 36(11). 805–824. 6 indexed citations

Göller, Andreas H., Lara Kuhnke, Antonius ter Laak, Katharina Meier, & Alexander Hillisch. (2021). Machine Learning Applied to the Modeling of Pharmacological and ADMET Endpoints. Methods in molecular biology. 61–101. 4 indexed citations

Göller, Andreas H., et al.. (2021). RegioSQM20: improved prediction of the regioselectivity of electrophilic aromatic substitutions. Journal of Cheminformatics. 13(1). 10–10. 22 indexed citations

10.

Göller, Andreas H., Lara Kuhnke, Floriane Montanari, et al.. (2020). Bayer’s in silico ADMET platform: a journey of machine learning over the past two decades. Drug Discovery Today. 25(9). 1702–1709. 119 indexed citations

11.

Muenster, Uwe, et al.. (2016). Predicting biopharmaceutical performance of oral drug candidates – Extending the volume to dissolve applied dose concept. European Journal of Pharmaceutics and Biopharmaceutics. 102. 191–201. 7 indexed citations

12.

Kirchmair, Johannes, Andreas H. Göller, Dieter Lang, et al.. (2015). Predicting drug metabolism: experiment and/or computation?. Nature Reviews Drug Discovery. 14(6). 387–404. 359 indexed citations breakdown →

13.

Göller, Andreas H., et al.. (2015). Robust molecular representations for modelling and design derived from atomic partial charges. Chemical Communications. 52(4). 681–684. 27 indexed citations

14.

Göller, Andreas H., et al.. (2014). Femtosecond Dynamics in the Lactim Tautomer of Phycocyanobilin: A Long‐Wavelength Absorbing Model Compound for the Phytochrome Chromophore. ChemPhysChem. 15(17). 3824–3831. 6 indexed citations

15.

Fraczkiewicz, Robert, et al.. (2014). Best of Both Worlds: Combining Pharma Data and State of the Art Modeling Technology To Improve in Silico pK_a Prediction. Journal of Chemical Information and Modeling. 55(2). 389–397. 78 indexed citations

16.

Muenster, Uwe, Thomas Backensfeld, Thomas Kuhlmann, et al.. (2011). Volume to dissolve applied dose (VDAD) and apparent dissolution rate (ADR): Tools to predict in vivo bioavailability from orally applied drug suspensions. European Journal of Pharmaceutics and Biopharmaceutics. 78(3). 522–530. 12 indexed citations

17.

Stoll, Friederike, Andreas H. Göller, & Alexander Hillisch. (2011). Utility of protein structures in overcoming ADMET-related issues of drug-like compounds. Drug Discovery Today. 16(11-12). 530–538. 35 indexed citations

18.

Hennemann, Matthias, Mario Lobell, Jörg Keldenich, et al.. (2009). CypScore: Quantitative Prediction of Reactivity toward Cytochromes P450 Based on Semiempirical Molecular Orbital Theory. ChemMedChem. 4(4). 657–669. 57 indexed citations

19.

Nisius, Britta, Andreas H. Göller, & Jürgen Bajorath. (2008). Combining Cluster Analysis, Feature Selection and Multiple Support Vector Machine Models for the Identification of Human Ether‐a‐go‐go Related Gene Channel Blocking Compounds. Chemical Biology & Drug Design. 73(1). 17–25. 22 indexed citations

20.

Bestmann, Hans Jürgen, et al.. (1998). Triphenylphosphonioacetylide: A Species Isoelectronic with Isocyanides. Angewandte Chemie International Edition. 37(3). 338–342. 9 indexed citations

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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