يعرض 1 - 10 نتائج من 135 نتيجة بحث عن '"Göller, Andreas H."', وقت الاستعلام: 1.21s تنقيح النتائج
  1. 1
    تقرير
    A Deep Neural Network -- Mechanistic Hybrid Model to Predict Pharmacokinetics in Rat

    المؤلفون: Führer, Florian, Gruber, Andrea, Diedam, Holger, Göller, Andreas H., Menz, Stephan, Schneckener, Sebastian

    مصطلحات موضوعية: Quantitative Biology - Quantitative Methods, Computer Science - Computational Engineering, Finance, and Science, Computer Science - Machine Learning, Quantitative Biology - Biomolecules

    URL الوصول: http://arxiv.org/abs/2310.09167

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  2. 2
    Predictive Modeling of PROTAC Cell Permeability with Machine Learning

    المؤلفون: Poongavanam, Vasanthanathan, Kölling, Florian, Giese, Anja, Göller, Andreas H., Lehmann, Lutz, Meibom, Daniel, Kihlberg, Jan

    المصدر: ACS Omega. 8(6):5901-5916

    وصف الملف: electronic

    URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-501760
    https://doi.org/10.1021/acsomega.2c07717
    https://uu.diva-portal.org/smash/get/diva2:1756648/FULLTEXT01.pdf

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  3. 3
    دورية أكاديمية
    Predicting absolute aqueous solubility by applying a machine learning model for an artificially liquid-state as proxy for the solid-state

    المؤلفون: Gheta, Sadra Kashef Ol, Bonin, Anne, Gerlach, ThomasAff2, Aff3, Göller, Andreas H.Aff1, IDs1082202300538w_cor4

    المصدر: Journal of Computer-Aided Molecular Design: Incorporating Perspectives in Drug Discovery and Design. :1-25

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  4. 4
    دورية أكاديمية
    pH-dependent solubility prediction for optimized drug absorption and compound uptake by plants

    المؤلفون: Bonin, Anne, Montanari, Floriane, Niederführ, Sebastian, Göller, Andreas H.Aff1, IDs10822023004963_cor4

    المصدر: Journal of Computer-Aided Molecular Design: Incorporating Perspectives in Drug Discovery and Design. 37(3):129-145

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  5. 5
    دورية أكاديمية
    Prediction of Human Pharmacokinetics From Chemical Structure: Combining Mechanistic Modeling with Machine Learning

    المؤلفون: Gruber, Andrea, Führer, Florian, Menz, Stephan, Diedam, Holger, Göller, Andreas H., Schneckener, Sebastian

    المصدر: In Journal of Pharmaceutical Sciences January 2024 113(1):55-63

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  6. 6
    دورية أكاديمية
    A deep neural network: mechanistic hybrid model to predict pharmacokinetics in rat

    المؤلفون: Führer, FlorianAff1, IDs10822023005479_cor1, Gruber, Andrea, Diedam, Holger, Göller, Andreas H., Menz, Stephan, Schneckener, Sebastian

    المصدر: Journal of Computer-Aided Molecular Design: Incorporating Perspectives in Drug Discovery and Design. 38(1)

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  7. 7
    دورية أكاديمية
    Reliable gas-phase tautomer equilibria of drug-like molecule scaffolds and the issue of continuum solvation

    المؤلفون: Göller, Andreas H.Aff1, IDs10822022004803_cor1

    المصدر: Journal of Computer-Aided Molecular Design: Incorporating Perspectives in Drug Discovery and Design. 36(11):805-824

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  8. 8
    دورية أكاديمية
    Quantum chemical calculations of nitrosamine activation and deactivation pathways for carcinogenicity risk assessment.

    المؤلفون: Göller, Andreas H., Johanssen, Sandra, Zalewski, Adam, Ziegler, Verena

    المصدر: Frontiers in Pharmacology; 2024, p1-16, 16p

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  9. 9
    دورية أكاديمية
    Combined experimental and quantum mechanical elucidation of the synthetically accessible stereoisomers of Hydroxyestradienone (HED), the starting material for vilaprisan synthesis

    المؤلفون: Plöger, Tobias A., Koep, Stefan, Militzer, Hans-Christian, Göller, Andreas H.Aff4

    المصدر: Journal of Computer-Aided Molecular Design: Incorporating Perspectives in Drug Discovery and Design. 35(4):505-516

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  10. 10
    دورية أكاديمية
    Bayer’s in silico ADMET platform: a journey of machine learning over the past two decades

    المؤلفون: Göller, Andreas H., Kuhnke, Lara, Montanari, Floriane, Bonin, Anne, Schneckener, Sebastian, ter Laak, Antonius, Wichard, Jörg, Lobell, Mario, Hillisch, Alexander

    المصدر: In Drug Discovery Today September 2020 25(9):1702-1709

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