Showing 1 - 20 results of 110 for search 'Jurgen Bajorath', query time: 0.05s Refine Results
  1. 1
    Specific contributions of artificial intelligence to interdisciplinary life science research – exploring and communicating new opportunities

    Specific contributions of artificial intelligence to interdisciplinary life science research – exploring and communicating new opportunities by Jürgen Bajorath

    Published 2023-12-01
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  2. 2
    Second-generation artificial intelligence approaches for life science research

    Second-generation artificial intelligence approaches for life science research by Jürgen Bajorath

    Published 2021-12-01
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  3. 3
    Understanding uncertainty in deep learning builds confidence

    Understanding uncertainty in deep learning builds confidence by Jürgen Bajorath

    Published 2022-12-01
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  4. 4
    Computer-aided drug discovery [v1; ref status: indexed, http://f1000r.es/5ij]

    Computer-aided drug discovery [v1; ref status: indexed, http://f1000r.es/5ij] by Jürgen Bajorath

    Published 2015-08-01
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  5. 5
    Origins and progression of the polypharmacology concept in drug discovery

    Origins and progression of the polypharmacology concept in drug discovery by Jürgen Bajorath

    Published 2024-06-01
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  6. 6
    Activity artifacts in drug discovery and different facets of compound promiscuity [v1; ref status: indexed, http://f1000r.es/4gz]

    Activity artifacts in drug discovery and different facets of compound promiscuity [v1; ref status: indexed, http://f1000r.es/4gz] by Jürgen Bajorath

    Published 2014-10-01
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  7. 7
    Potential inconsistencies or artifacts in deriving and interpreting deep learning models and key criteria for scientifically sound applications in the life sciences

    Potential inconsistencies or artifacts in deriving and interpreting deep learning models and key criteria for scientifically sound applications in the life sciences by Jürgen Bajorath

    Published 2024-06-01
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  8. 8
    Data and code availability requirements in open science and consequences for different research environments

    Data and code availability requirements in open science and consequences for different research environments by Jürgen Bajorath

    Published 2023-12-01
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  9. 9
    AI in Life Science Research – The Road Ahead

    AI in Life Science Research – The Road Ahead by Jürgen Bajorath

    Published 2022-12-01
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  10. 10
    Revisiting active learning in drug discovery through open science

    Revisiting active learning in drug discovery through open science by Jürgen Bajorath

    Published 2022-12-01
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  11. 11
    Deep learning of protein–ligand interactions—Remembering the actors

    Deep learning of protein–ligand interactions—Remembering the actors by Jürgen Bajorath

    Published 2022-12-01
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  12. 12
    Data science and data analytics in life science research

    Data science and data analytics in life science research by Jürgen Bajorath

    Published 2023-12-01
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  13. 13
    ccbmlib – a Python package for modeling Tanimoto similarity value distributions [version 1; peer review: 2 approved]

    ccbmlib – a Python package for modeling Tanimoto similarity value distributions [version 1; peer review: 2 approved] by Martin Vogt, Jürgen Bajorath

    Published 2020-02-01
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  14. 14
    Exploring Selectivity of Multikinase Inhibitors across the Human Kinome

    Exploring Selectivity of Multikinase Inhibitors across the Human Kinome by Filip Miljković, Jürgen Bajorath

    Published 2018-01-01
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  15. 15
    Data set of activity cliffs with single-atom modification and associated X-ray structure information for medicinal and computational chemistry applications

    Data set of activity cliffs with single-atom modification and associated X-ray structure information for medicinal and computational chemistry applications by Huabin Hu, Jürgen Bajorath

    Published 2020-12-01
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  16. 16
    ccbmlib – a Python package for modeling Tanimoto similarity value distributions [version 2; peer review: 2 approved]

    ccbmlib – a Python package for modeling Tanimoto similarity value distributions [version 2; peer review: 2 approved] by Martin Vogt, Jürgen Bajorath

    Published 2020-03-01
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  17. 17
    High-resolution view of compound promiscuity [v2; ref status: indexed, http://f1000r.es/1ig]

    High-resolution view of compound promiscuity [v2; ref status: indexed, http://f1000r.es/1ig] by Ye Hu, Jürgen Bajorath

    Published 2013-07-01
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  18. 18
    Freely available compound data sets and software tools for chemoinformatics and computational medicinal chemistry applications [v1; ref status: indexed, http://f1000r.es/Mu9krs]

    Freely available compound data sets and software tools for chemoinformatics and computational medicinal chemistry applications [v1; ref status: indexed, http://f1000r.es/Mu9krs] by Ye Hu, Jurgen Bajorath

    Published 2012-08-01
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  19. 19
    Designing highly potent compounds using a chemical language model

    Designing highly potent compounds using a chemical language model by Hengwei Chen, Jürgen Bajorath

    Published 2023-05-01
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  20. 20
    Reconciling Selectivity Trends from a Comprehensive Kinase Inhibitor Profiling Campaign with Known Activity Data

    Reconciling Selectivity Trends from a Comprehensive Kinase Inhibitor Profiling Campaign with Known Activity Data by Filip Miljković, Jürgen Bajorath

    Published 2018-03-01
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