Jörg K. Wegner

4.1k total citations · 1 hit paper
49 papers, 2.3k citations indexed

About

Jörg K. Wegner is a scholar working on Computational Theory and Mathematics, Molecular Biology and Materials Chemistry. According to data from OpenAlex, Jörg K. Wegner has authored 49 papers receiving a total of 2.3k indexed citations (citations by other indexed papers that have themselves been cited), including 39 papers in Computational Theory and Mathematics, 30 papers in Molecular Biology and 21 papers in Materials Chemistry. Recurrent topics in Jörg K. Wegner's work include Computational Drug Discovery Methods (39 papers), Machine Learning in Materials Science (21 papers) and Metabolomics and Mass Spectrometry Studies (8 papers). Jörg K. Wegner is often cited by papers focused on Computational Drug Discovery Methods (39 papers), Machine Learning in Materials Science (21 papers) and Metabolomics and Mass Spectrometry Studies (8 papers). Jörg K. Wegner collaborates with scholars based in Belgium, United States and Germany. Jörg K. Wegner's co-authors include Andreas Zell, Hugo Ceulemans, Sepp Hochreiter, Günter Klambauer, Holger Fröhlich, Andreas Bender, Gerard J. P. van Westen, Adriaan P. IJzerman, Herman van Vlijmen and Marvin Steijaert and has published in prestigious journals such as PLoS ONE, Scientific Reports and Communications of the ACM.

In The Last Decade

Jörg K. Wegner

47 papers receiving 2.3k citations

Hit Papers

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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.

Large-scale comparison of machine learning methods for drug target prediction on ChEMBL

2018 352 citations Andreas Mayr, Günter Klambauer et al. profile →

Peers

Countries citing papers authored by Jörg K. Wegner

Since Specialization

Citations

This map shows the geographic impact of Jörg K. Wegner'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 Jörg K. Wegner with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Jörg K. Wegner more than expected).

Fields of papers citing papers by Jörg K. Wegner

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Jörg K. Wegner. 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 Jörg K. Wegner. The network helps show where Jörg K. Wegner may publish in the future.

Co-authorship network of co-authors of Jörg K. Wegner

This figure shows the co-authorship network connecting the top 25 collaborators of Jörg K. Wegner. A scholar is included among the top collaborators of Jörg K. Wegner 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 Jörg K. Wegner. Jörg K. Wegner 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

#	Work	Indexed citations
1	Improving route development using convergent retrosynthesis planning 2025 ·Journal of Cheminformatics ·(unknown), Jonas Verhoeven, Dorota Herman, Hugo Ceulemans, Igor V. Tetko, Jörg K. Wegner	2
2	Pretraining graph transformers with atom-in-a-molecule quantum properties for improved ADMET modeling 2025 ·Journal of Cheminformatics ·(unknown), Ramil Nugmanov, Jose A. Arjona-Medina, Jörg K. Wegner, Alexandre Tkatchenko, (unknown)	3
3	Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules 2024 ·Scientific Data ·Leonardo Medrano Sandonas, Dries Van Rompaey, (unknown), (unknown), David F. Hahn, Laura Pérez‐Benito, Jonas Verhoeven, Gary Tresadern, Jörg K. Wegner, Hugo Ceulemans, Alexandre Tkatchenko	17
4	Toward Dose Prediction at Point of Design 2024 ·Journal of Medicinal Chemistry ·Dries Van Rompaey, (unknown), Mazen Ahmad, Justin S. Cisar, An Van den Bergh, Jeremy R. Ash, Zhe Wu, Marian C. Bryan, James P. Edwards, Renée L. DesJarlais, Jörg K. Wegner, Hugo Ceulemans, Kaushik Mitra, David Polidori	5
5	Global reactivity models are impactful in industrial synthesis applications 2023 ·Journal of Cheminformatics ·(unknown), Kelly J. McClure, Jonas Verhoeven, Natalia Dyubankova, Ramil Nugmanov, (unknown), (unknown), Zhicai Shi, Jörg K. Wegner	10
6	Bidirectional Graphormer for Reactivity Understanding: Neural Network Trained to Reaction Atom-to-Atom Mapping Task 2022 ·Journal of Chemical Information and Modeling ·Ramil Nugmanov, Natalia Dyubankova, (unknown), Jörg K. Wegner	21
7	Modern Hopfield Networks for Few- and Zero-Shot Reaction Prediction. 2021 ·arXiv (Cornell University) ·Philipp Seidl, Philipp Renz, Natalia Dyubankova, (unknown), Jonas Verhoeven, Jörg K. Wegner, Sepp Hochreiter, Günter Klambauer	1
8	Industry-scale application and evaluation of deep learning for drug target prediction 2020 ·Journal of Cheminformatics ·Noé Sturm, Andreas Mayr, (unknown), Vladimir Chupakhin, Hugo Ceulemans, Jörg K. Wegner, (unknown), Nina Jeliazkova, (unknown), Stanislav Böhm, (unknown), Jan Martinovič, Nigel Greene, Tom Vander Aa, Thomas J. Ashby, Sepp Hochreiter, Ola Engkvist, Günter Klambauer, Hongming Chen	29
9	Tales of 1,008 small molecules: phenomic profiling through live-cell imaging in a panel of reporter cell lines 2020 ·Scientific Reports ·Michael J. Cox, Steffen Jaensch, (unknown), (unknown), (unknown), (unknown), Seong Joo Koo, Ilse Van den Wyngaert, Jean‐Marc Neefs, Dmitry Malkov, Mart Bittremieux, Margino Steemans, Pieter J. Peeters, Jörg K. Wegner, Hugo Ceulemans, Emmanuel Gustin, Yolanda Chong, Hinrich W. H. Göhlmann	36
10	On failure modes in molecule generation and optimization 2019 ·Drug Discovery Today Technologies ·Philipp Renz, Dries Van Rompaey, Jörg K. Wegner, Sepp Hochreiter, Günter Klambauer	86
11	High-Throughput Gene Expression Profiles to Define Drug Similarity and Predict Compound Activity 2018 ·Assay and Drug Development Technologies ·Hans Wolf, (unknown), Kirsten Van Hoorde, An De Bondt, Jörg K. Wegner, Hugo Ceulemans, Hinrich W. H. Göhlmann	21
12	Repurposing High-Throughput Image Assays Enables Biological Activity Prediction for Drug Discovery 2018 ·Cell chemical biology ·Jaak Simm, Günter Klambauer, Ádám Arany, Marvin Steijaert, Jörg K. Wegner, Emmanuel Gustin, Vladimir Chupakhin, Yolanda Chong, Jorge Vialard, Peter Buijnsters, Ingrid Velter, A. Vapirev, Shantanu Singh, Anne E. Carpenter, Roel Wuyts, Sepp Hochreiter, Yves Moreau, Hugo Ceulemans	140
13	Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets 2013 ·Journal of Cheminformatics ·Gerard J. P. van Westen, (unknown), Jörg K. Wegner, Adriaan P. IJzerman, (unknown), Andreas Bender	81
14	Significantly Improved HIV Inhibitor Efficacy Prediction Employing Proteochemometric Models Generated From Antivirogram Data 2013 ·PLoS Computational Biology ·Gerard J. P. van Westen, (unknown), Jörg K. Wegner, Adriaan P. IJzerman, Herman van Vlijmen, Andreas Bender	39
15	Chemogenomics Approaches for Receptor Deorphanization and Extensions of the Chemogenomics Concept to Phenotypic Space 2011 ·Current Topics in Medicinal Chemistry ·Eelke van der Horst, Julio E. Peironcely, Gerard J. P. van Westen, (unknown), Warren R. J. D. Galloway, David R. Spring, Jörg K. Wegner, Herman van Vlijmen, Adriaan P. IJzerman, John P. Overington, Andreas Bender	14
16	Which Compound to Select in Lead Optimization? Prospectively Validated Proteochemometric Models Guide Preclinical Development 2011 ·PLoS ONE ·Gerard J. P. van Westen, Jörg K. Wegner, Peggy Geluykens, (unknown), (unknown), Anik Peeters, Adriaan P. IJzerman, Herman van Vlijmen, Andreas Bender	40
17	Mining protein dynamics from sets of crystal structures using “consensus structures” 2010 ·Protein Science ·Gerard J. P. van Westen, Jörg K. Wegner, Andreas Bender, Adriaan P. IJzerman, Herman van Vlijmen	14
18	Recent Advances in Chemoinformatics 2007 ·Journal of Chemical Information and Modeling ·Dimitris K. Agrafiotis, Deepak Bandyopadhyay, Jörg K. Wegner, Herman van Vlijmen	44
19	The compressed feature matrix?a fast method for feature based substructure search 2003 ·Journal of Molecular Modeling ·(unknown), Jörg K. Wegner, Andreas Zell	32
20	Automatic determination of decay rates of single- and double-labelled samples with the aid of a programmable desk computer in off-line regime 1973 ·Kerntechnik ·Jörg K. Wegner, (unknown), Bertold Hock	0

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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