Hasil Pencarian - Kenneth Atz

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  1. 1
    QMugs, quantum mechanical properties of drug-like molecules

    QMugs, quantum mechanical properties of drug-like molecules oleh Clemens Isert, Kenneth Atz, José Jiménez-Luna, Gisbert Schneider

    Diterbitkan 2022-06-01
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  2. 2
    Leveraging molecular structure and bioactivity with chemical language models for de novo drug design

    Leveraging molecular structure and bioactivity with chemical language models for de novo drug design oleh Michael Moret, Irene Pachon Angona, Leandro Cotos, Shen Yan, Kenneth Atz, Cyrill Brunner, Martin Baumgartner, Francesca Grisoni, Gisbert Schneider

    Diterbitkan 2023-01-01
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  3. 3
    G–PLIP: Knowledge graph neural network for structure-free protein–ligand bioactivity prediction

    G–PLIP: Knowledge graph neural network for structure-free protein–ligand bioactivity prediction oleh Simon J. Crouzet, Anja Maria Lieberherr, Kenneth Atz, Tobias Nilsson, Lisa Sach-Peltason, Alex T. Müller, Matteo Dal Peraro, Jitao David Zhang

    Diterbitkan 2024-12-01
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  4. 4
    Identifying opportunities for late-stage C-H alkylation with high-throughput experimentation and in silico reaction screening

    Identifying opportunities for late-stage C-H alkylation with high-throughput experimentation and in silico reaction screening oleh David F. Nippa, Kenneth Atz, Alex T. Müller, Jens Wolfard, Clemens Isert, Martin Binder, Oliver Scheidegger, David B. Konrad, Uwe Grether, Rainer E. Martin, Gisbert Schneider

    Diterbitkan 2023-11-01
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  5. 5
    Prospective de novo drug design with deep interactome learning

    Prospective de novo drug design with deep interactome learning oleh Kenneth Atz, Leandro Cotos, Clemens Isert, Maria Håkansson, Dorota Focht, Mattis Hilleke, David F. Nippa, Michael Iff, Jann Ledergerber, Carl C. G. Schiebroek, Valentina Romeo, Jan A. Hiss, Daniel Merk, Petra Schneider, Bernd Kuhn, Uwe Grether, Gisbert Schneider

    Diterbitkan 2024-04-01
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