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Stiefl, Nikolaus
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1

Discovery of Potent, Orally Bioavailable, Tricyclic NLRP3 I..:

Velcicky, Juraj ; Janser, Philipp ; Gommermann, Nina...
Journal of Medicinal Chemistry.  67 (2024)  2 - p. 1544-1562 , 2024
Link: https://doi.org/10.1021/..
 
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2

SIMPD: an algorithm for generating simulated time splits fo..:

Landrum, Gregory A. ; Beckers, Maximilian ; Lanini, Jessica...
Journal of Cheminformatics.  15 (2023)  1 - p. , 2023
Link: https://doi.org/10.1186/..
 
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3

Machine Learning for Fast, Quantum Mechanics-Based Approxim..:

Isert, Clemens ; Kromann, Jimmy C. ; Stiefl, Nikolaus..
ACS Omega.  8 (2023)  2 - p. 2046-2056 , 2023
Link: https://doi.org/10.1021/..
 
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4

PREFER: A New Predictive Modeling Framework for Molecular D..:

Lanini, Jessica ; Santarossa, Gianluca ; Sirockin, Finton...
Journal of Chemical Information and Modeling.  63 (2023)  15 - p. 4497-4504 , 2023
Link: https://doi.org/10.1021/..
 
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5

Prediction of Small-Molecule Developability Using Large-Sca..:

Beckers, Maximilian ; Sturm, Noé ; Sirockin, Finton..
Journal of Medicinal Chemistry.  66 (2023)  20 - p. 14047-14060 , 2023
Link: https://doi.org/10.1021/..
 
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6

Extracting medicinal chemistry intuition via preference mac..:

Choung, Oh-Hyeon ; Vianello, Riccardo ; Segler, Marwin..
Nature Communications.  14 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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7

Discovery of a novel 2-aminopyrazine-3-carboxamide as a pot..:

Ullrich, Thomas ; Arista, Luca ; Weiler, Sven...
Bioorganic & Medicinal Chemistry Letters.  64 (2022)  - p. 128667 , 2022
Link: https://doi.org/10.1016/..
 
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8

Chemical Reactivity Prediction: Current Methods and Differe..:

Ertl, Peter ; Gerebtzoff, Grégori ; Lewis, Richard...
Molecular Informatics.  41 (2022)  6 - p. , 2022
Link: https://doi.org/10.1002/..
 
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9

25 Years of Small-Molecule Optimization at Novartis: A Retr..:

Beckers, Maximilian ; Fechner, Nikolas ; Stiefl, Nikolaus
Journal of Chemical Information and Modeling.  62 (2022)  23 - p. 6002-6021 , 2022
Link: https://doi.org/10.1021/..
 
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10

GHOST: Adjusting the Decision Threshold to Handle Imbalance..:

Esposito, Carmen ; Landrum, Gregory A. ; Schneider, Nadine..
Journal of Chemical Information and Modeling.  61 (2021)  6 - p. 2623-2640 , 2021
Link: https://doi.org/10.1021/..
 
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11

Crystal Structure of NLRP3 NACHT Domain With an Inhibitor D..:

Dekker, Carien ; Mattes, Henri ; Wright, Michael...
Journal of Molecular Biology.  433 (2021)  24 - p. 167309 , 2021
Link: https://doi.org/10.1016/..
 
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12

Automated Identification of Chemical Series: Classifying li..:

Kruger, Franziska ; Fechner, Nikolas ; Stiefl, Nikolaus
Journal of Chemical Information and Modeling.  60 (2020)  6 - p. 2888-2902 , 2020
Link: https://doi.org/10.1021/..
 
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13

rdScaffoldNetwork: The Scaffold Network Implementation in R..:

Kruger, Franziska ; Stiefl, Nikolaus ; Landrum, Gregory A.
Journal of Chemical Information and Modeling.  60 (2020)  7 - p. 3331-3335 , 2020
Link: https://doi.org/10.1021/..
 
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14

An Artificial Intelligence Approach to Proactively Inspire ..:

Rohall, Steven L. ; Auch, Lydia ; Gable, Jonathan...
Journal of Medicinal Chemistry.  63 (2020)  16 - p. 8824-8834 , 2020
Link: https://doi.org/10.1021/..
 
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15

Evolution of Novartis' Small Molecule Screening Deck Design:

Schuffenhauer, Ansgar ; Schneider, Nadine ; Hintermann, Samuel...
Journal of Medicinal Chemistry.  63 (2020)  23 - p. 14425-14447 , 2020
Link: https://doi.org/10.1021/..
 
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