Jürgen Bajorath

36.8k total citations · 12 hit papers
705 papers, 26.2k citations indexed

About

Jürgen Bajorath is a scholar working on Computational Theory and Mathematics, Molecular Biology and Pharmacology. According to data from OpenAlex, Jürgen Bajorath has authored 705 papers receiving a total of 26.2k indexed citations (citations by other indexed papers that have themselves been cited), including 533 papers in Computational Theory and Mathematics, 440 papers in Molecular Biology and 161 papers in Pharmacology. Recurrent topics in Jürgen Bajorath's work include Computational Drug Discovery Methods (533 papers), Microbial Natural Products and Biosynthesis (131 papers) and Machine Learning in Materials Science (125 papers). Jürgen Bajorath is often cited by papers focused on Computational Drug Discovery Methods (533 papers), Microbial Natural Products and Biosynthesis (131 papers) and Machine Learning in Materials Science (125 papers). Jürgen Bajorath collaborates with scholars based in Germany, United States and France. Jürgen Bajorath's co-authors include Dagmar Stumpfe, Ye Hu, Douglas B. Kitchen, Hélène Decornez, Raquel Rodríguez-Pérez, Martin Vogt, Alejandro Aruffo, Andrew Anighoro, Anne Mai Wassermann and Giulio Rastelli and has published in prestigious journals such as Nature, Cell and Proceedings of the National Academy of Sciences.

In The Last Decade

Jürgen Bajorath

691 papers receiving 25.4k citations

Hit Papers

Docking and scoring in virtual screening for drug discove... 1993 2026 2004 2015 2004 2014 1994 1993 2002 500 1000 1.5k 2.0k 2.5k
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.

  1. Docking and scoring in virtual screening for drug discovery: methods and applications
    2004 2.8k citations Jürgen Bajorath et al. profile →
  2. Polypharmacology: Challenges and Opportunities in Drug Discovery
    2014 821 citations Jürgen Bajorath et al. Journal of Medicinal Chemistry profile →
  3. Human B7-1 (CD80) and B7-2 (CD86) bind with similar avidities but distinct kinetics to CD28 and CTLA-4 receptors
    1994 786 citations Jürgen Bajorath et al. profile →
  4. The CD40 ligand, gp39, is defective in activated T cells from patients with X-linked hyper-IgM syndrome
    1993 663 citations Jürgen Bajorath et al. profile →
  5. Integration of virtual and high-throughput screening
    2002 640 citations Jürgen Bajorath profile →
  6. B7-H4, a Molecule of the B7 Family, Negatively Regulates T Cell Immunity
    2003 568 citations Jürgen Bajorath et al. profile →
  7. Rational Development of LEA29Y (belatacept), a High-Affinity Variant of CTLA4-Ig with Potent Immunosuppressive Properties
    2005 549 citations Jürgen Bajorath et al. profile →
  8. QSAR without borders
    2020 547 citations Eugene Muratov, Jürgen Bajorath et al. Chemical Society Reviews profile →
  9. IMMUNE REGULATION BY CD40 AND ITS LIGAND GP39
    1996 539 citations Jürgen Bajorath et al. profile →
  10. Interpretation of machine learning models using shapley values: application to compound potency and multi-target activity predictions
    2020 434 citations Raquel Rodríguez-Pérez, Jürgen Bajorath profile →
  11. Molecular Similarity in Medicinal Chemistry
    2013 431 citations Jürgen Bajorath et al. Journal of Medicinal Chemistry profile →
  12. Interpretation of Compound Activity Predictions from Complex Machine Learning Models Using Local Approximations and Shapley Values
    2019 306 citations Raquel Rodríguez-Pérez, Jürgen Bajorath Journal of Medicinal Chemistry profile →

Peers

Jürgen Bajorath
Comparison fields: 5 of 209
  • Computational Theory and Mathematics 12.9k
  • Molecular Biology 12.9k
  • Immunology 4.5k
  • Organic Chemistry 3.8k
  • Materials Chemistry 3.7k
Replace Tingjun Hou with:
Tingjun Hou China
Junmei Wang China
Hualiang Jiang China
Gisbert Schneider Switzerland
Brian K. Shoichet United States
Garrett M. Morris United Kingdom
Tom L. Blundell United Kingdom
David S. Goodsell United States
Ruth Huey United States
Michel F. Sanner United States
Tingjun Hou China View profile →
Citations per field, relative to Jürgen Bajorath
Jürgen Bajorath · 1×
Citations per year, relative to Jürgen Bajorath
Jürgen Bajorath · 1×

Countries citing papers authored by Jürgen Bajorath

Since Specialization
Citations

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

Fields of papers citing papers by Jürgen Bajorath

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Jürgen Bajorath. 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 Jürgen Bajorath. The network helps show where Jürgen Bajorath may publish in the future.

Co-authorship network of co-authors of Jürgen Bajorath

This figure shows the co-authorship network connecting the top 25 collaborators of Jürgen Bajorath. A scholar is included among the top collaborators of Jürgen Bajorath 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 Jürgen Bajorath. Jürgen Bajorath is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

20 of 20 papers shown
# Work Indexed citations
1
Context-dependent similarity analysis of analogue series for structure–activity relationship transfer based on a concept from natural language processing
2025 ·Journal of Cheminformatics ·Atsushi Yoshimori, Jürgen Bajorath
0
2
Protocol to generate dual-target compounds using a transformer chemical language model
2025 ·STAR Protocols ·(unknown), Jürgen Bajorath
0
3
Extension of multi-site analogue series with potent compounds using a bidirectional transformer-based chemical language model
2024 ·RSC Medicinal Chemistry ·(unknown), Atsushi Yoshimori, Jürgen Bajorath
1
4
Kinase Drug Discovery: Impact of Open Science and Artificial Intelligence
2024 ·Molecular Pharmaceutics ·Filip Miljković, Jürgen Bajorath
2
5
Data-Driven Global Assessment of Protein Kinase Inhibitors with Emphasis on Covalent Compounds
2023 ·Journal of Medicinal Chemistry ·(unknown), Filip Miljković, Jürgen Bajorath
10
6
Approach for the Design of Covalent Protein Kinase Inhibitors via Focused Deep Generative Modeling
2022 ·Molecules ·Atsushi Yoshimori, Filip Miljković, Jürgen Bajorath
9
7
Impact of Artificial Intelligence on Compound Discovery, Design, and Synthesis
2021 ·ACS Omega ·Filip Miljković, Raquel Rodríguez-Pérez, Jürgen Bajorath
30
8
Structured Data Sets of Compounds With multi-target and Corresponding single-target Activity From Biological Assays
2021 ·Future Science OA ·Christian Feldmann, (unknown), Jürgen Bajorath
2
9
Correction: QSAR without borders
2020 ·Chemical Society Reviews ·Eugene Muratov, Jürgen Bajorath, Robert P. Sheridan, Igor V. Tetko, Dmitry Filimonov, Vladimir Poroikov, Tudor I. Oprea, Igor I. Baskin, Alexandre Varnek, Adrián E. Roitberg, Olexandr Isayev, Stefano Curtarolo, Denis Fourches, Yoram Cohen, Alán Aspuru‐Guzik, David A. Winkler, Dimitris K. Agrafiotis, Artem Cherkasov, Alexander Tropsha
17
10
QSAR without borders breakdown →
2020 ·Chemical Society Reviews ·Eugene Muratov, Jürgen Bajorath, Robert P. Sheridan, Igor V. Tetko, Dmitry Filimonov, Vladimir Poroikov, Tudor I. Oprea, Igor I. Baskin, Alexandre Varnek, Adrián E. Roitberg, Olexandr Isayev, (unknown), Denis Fourches, Yoram Cohen, Alán Aspuru‐Guzik, David A. Winkler, Dimitris K. Agrafiotis, Artem Cherkasov, Alexander Tropsha
547
11
Memory-assisted reinforcement learning for diverse molecular de novo design
2020 ·Journal of Cheminformatics ·Thomas Blaschke, Ola Engkvist, Jürgen Bajorath, Hongming Chen
73
12
Pros and cons of virtual screening based on public “Big Data”: In silico mining for new bromodomain inhibitors
2019 ·European Journal of Medicinal Chemistry ·(unknown), Dragos Horvath, (unknown), Kateryna A. Tolmachova, (unknown), Petro Borysko, Yurii S. Moroz, Jürgen Bajorath, Alexandre Varnek
14
13
Identifying Promiscuous Compounds with Activity against Different Target Classes
2019 ·Molecules ·Christian Feldmann, Filip Miljković, (unknown), Jürgen Bajorath
15
14
Data-Driven Exploration of Selectivity and Off-Target Activities of Designated Chemical Probes
2018 ·Molecules ·Filip Miljković, Jürgen Bajorath
9
15
Cathepsin B: Active site mapping with peptidic substrates and inhibitors
2018 ·Bioorganic & Medicinal Chemistry ·(unknown), Erik Gilberg, Reik Löser, Jürgen Bajorath, (unknown), Michael Gütschow
57
16
Application of Generative Autoencoder in De Novo Molecular Design
2017 ·Molecular Informatics ·Thomas Blaschke, Marcus Olivecrona, Ola Engkvist, Jürgen Bajorath, Hongming Chen
256
17
Privileged Structural Motif Detection and Analysis Using Generative Topographic Maps
2017 ·Journal of Chemical Information and Modeling ·(unknown), Dragos Horvath, Erik Gilberg, Michael Gütschow, Jürgen Bajorath, Alexandre Varnek
9
18
En Route to New Therapeutic Options for Iron Overload Diseases: Matriptase‐2 as a Target for Kunitz‐Type Inhibitors
2016 ·ChemBioChem ·(unknown), (unknown), (unknown), (unknown), Norbert Furtmann, Jürgen Bajorath, Michael Gütschow, Marit Stirnberg
22
19
Chemoinformatics : concepts, methods, and tools for drug discovery
2004 ·Humana Press eBooks ·Jürgen Bajorath
34
20
Computer-Aided Drug Design - Session Introduction.
1999 ·Jürgen Bajorath, Teri E. Klein, Terry P. Lybrand, Jiří Novotný
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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