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J

Jürgen Bajorath

university of bonn

76H-index
1.1KPaper Count
3.7WCitation Count
Published Papers 484
Publication Date
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Commentary on the fundamentals and development of artificial intelligence models in the life sciences and best research practices
errJournal of Computer-Aided Molecular Design
IF3.1
err2026-07-03
err0
errOAAI
errJürgen Bajorath
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Chemical language models for generating compounds with triple-target activity
errCell Reports Physical Science
IF7.3
err2026-05-23
err0
errOAAI
errSanjana Srinivasan; Jürgen Bajorath
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From Prediction to Insight: Visual Analytics for Understanding Compound Potency Models
errIEEE Computer Graphics and Applications
IF1.4
err2026-05-01
err0
PREAI
errKathirgamanathan, Bahavathy; Janela, Tiago; Xerxa, Elena; Andrienko, Gennady; Bajorath, Jurgen; Andrienko, Natalia
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Explaining a molecular diffusion model
errCell Reports Physical Science
IF7.3
err2026-04-28
err0
errOAAI
errAndrea Mastropietro; Jürgen Bajorath
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Categorization of Protein Kinases by Combining Data from Cell Biology and Medicinal Chemistry Enables Further Evaluation and Differentiation of the Understudied Kinome
errJournal of Medicinal Chemistry
IF6.8
err2026-03-04
err0
PREAI
errElena Kullmann; Selina Koch; Jürgen Bajorath
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Explainable artificial intelligence for molecular design in pharmaceutical research
errchem. sci.
IF0
err2026-01-12
err0
errOAAI
errAlec Lamens; Jürgen Bajorath
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Chemical language models for generating compounds with triple-target activity
errCell Reports Physical Science
IF7.3
err2026-01-01
err1
errOAAI
errSrinivasan, Sanjana; Bajorath, Jurgen
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Transformer Learning in Sequence-Based Drug Design Depends on Compound Memorization and Similarity of Sequence-Compound Pairs
errMolecular Informatics
IF3.1
err2026-01-01
err0
errOAAI
errBajorath, Jurgen
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A client-enhanced language model for interactive compound optimization guided by explainable artificial intelligence
errArtificial Intelligence in the Life Sciences
IF5.4
err2026-01-01
err0
errOAAI
errYoshimori, Atsushi; Bajorath, Jurgen
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Opportunities for protein kinase drug discovery – 2025 update on the chemically underexplored human kinome
errEuropean Journal of Medicinal Chemistry Reports
IF4.1
err2025-10-25
err0
errOAAI
errSelina Koch; Elena Kullmann; Jürgen Bajorath
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Unraveling learning characteristics of transformer models for molecular design
errPatterns
IF7.4
err2025-10-14
err0
errOAAI
errJannik P. Roth; Jürgen Bajorath
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Contrastive explanations for machine learning predictions in chemistry
errJournal of Cheminformatics
IF5.7
err2025-09-26
err0
errOAAI
errAlec Lamens; Jürgen Bajorath
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From task-specific language models to research agents
errARTIFICIAL INTELLIGENCE IN THE LIFE SCIENCES
IF5.4
err2025-09-01
err0
errOAAI
errBajorath, Jurgen
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Identifying and evaluating understudied protein kinases using biological and chemical criteria
errRSC Med. Chem.
IF3.6
err2025-08-14
err0
PREAI
errSelina Koch; Jürgen Bajorath
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Dual-target candidate compounds from a transformer chemical language model contain characteristic structural features
errEuropean Journal of Medicinal Chemistry Reports
IF4.1
err2025-07-30
err0
errOAAI
errSanjana Srinivasan; Alec Lamens; Jürgen Bajorath
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From scientific theory to duality of predictive artificial intelligence models
errCELL REPORTS PHYSICAL SCIENCE
IF7.3
err2025-04-01
err1
errOAAI
errBajorath, Jurgen
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Direct conversion of peptides into diverse peptidomimetics using a transformer-based chemical language model
errEUROPEAN JOURNAL OF MEDICINAL CHEMISTRY REPORTS
IF4.1
err2025-04-01
err0
errOAAI
errYoshimori, Atsushi; Bajorath, Juergen
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Rationalizing Predictions of Isoform-Selective Phosphoinositide 3-Kinase Inhibitors Using MolAnchor Analysis
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-01-17
err0
PREAI
errLamens, Alec; Bajorath, Juergen
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Context-dependent similarity analysis of analogue series for structure-activity relationship transfer based on a concept from natural language processing
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2025-01-15
err0
errOAAI
errYoshimori, Atsushi; Bajorath, Jurgen
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Influence of Data Curation and Confidence Levels on Compound Predictions Using Machine Learning Models
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-12-10
err0
PREAI
errXerxa, Elena; Vogt, Martin; Bajorath, Juergen
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Research Directions

No research directions
Co-authors
Cooperation Journals
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Nathanael S. Gray
H-index: 145 · Papers: 1.5K
T
Tasuku Honjo
H-index: 143 · Papers: 737
L
Lieping Chen
H-index: 131 · Papers: 708
B
Brian K. Shoichet
H-index: 114 · Papers: 414
P
Peter S. Linsley
H-index: 103 · Papers: 351
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