Nikolaus Stiefl

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 16

Top Topics

Top Venues

Journal of chemical information and modeling

Journal of medicinal chemistry

PLoS computational biology

This page only lists publications with an associated author ORCID identifier.

Publications

Maximilian Beckers, Finton Sirockin, Nikolas Fechner, Nikolaus Stiefl
Balancing Molecular Size, Activity, Permeability, and Other Properties: Drug Candidates in the Context of Their Chemical Structure Optimization. Journal of chemical information and modeling (2024)
Juraj Velcicky, Philipp Janser, Nina Gommermann, Silke Brenneisen, Slavica Ilic, Eric Vangrevelinghe, Nikolaus Stiefl, Andreas Boettcher, Christelle Arnold, Claire Malinverni, Janet Dawson, Renata Murgasova, Sandrine Desrayaud, Karen Beltz, Alexandra Hinniger, Carien Dekker, Christopher J Farady, Angela Mackay
Discovery of Potent, Orally Bioavailable, Tricyclic NLRP3 Inhibitors. Journal of medicinal chemistry (2024)
Juraj Velcicky, Philipp Janser, Nina Gommermann, Silke Brenneisen, Slavica Ilic, Eric Vangrevelinghe, Nikolaus Stiefl, Andreas Boettcher, Christelle Arnold, Claire Malinverni, Janet Dawson, Renata Murgasova, Sandrine Desrayaud, Karen Beltz, Alexandra Hinniger, Carien Dekker, Christopher J Farady, Angela Mackay
Discovery of Potent, Orally Bioavailable, Tricyclic NLRP3 Inhibitors. Journal of medicinal chemistry 67 (2) (2024)
Juraj Velcicky, Philipp Janser, Nina Gommermann, Silke Brenneisen, Slavica Ilic, Eric Vangrevelinghe, Nikolaus Stiefl, Andreas Boettcher, Christelle Arnold, Claire Malinverni, Janet Dawson, Renata Murgasova, Sandrine Desrayaud, Karen Beltz, Alexandra Hinniger, Carien Dekker, Christopher J Farady, Angela Mackay
Discovery of Potent, Orally Bioavailable, Tricyclic NLRP3 Inhibitors. Journal of medicinal chemistry 67 (2) (2024)
Maximilian Beckers, Finton Sirockin, Nikolas Fechner, Nikolaus Stiefl
Balancing Molecular Size, Activity, Permeability, and Other Properties: Drug Candidates in the Context of Their Chemical Structure Optimization. Journal of chemical information and modeling 64 (16) (2024)
Maximilian Beckers, Noé Sturm, Finton Sirockin, Nikolas Fechner, Nikolaus Stiefl
Prediction of Small-Molecule Developability Using Large-Scale In Silico ADMET Models. Journal of medicinal chemistry (2023)
Clemens Isert, Jimmy C Kromann, Nikolaus Stiefl, Gisbert Schneider, Richard A Lewis
Machine Learning for Fast, Quantum Mechanics-Based Approximation of Drug Lipophilicity. ACS omega 8 (2) (2023)
Clemens Isert, Jimmy C Kromann, Nikolaus Stiefl, Gisbert Schneider, Richard A Lewis
Machine Learning for Fast, Quantum Mechanics-Based Approximation of Drug Lipophilicity. ACS omega 8 (2) (2023)
Jessica Lanini, Gianluca Santarossa, Finton Sirockin, Richard A Lewis, Nikolas Fechner, Hubert Misztela, Sarah Lewis, Krzysztof Maziarz, Megan Stanley, Marwin H S Segler, Nikolaus Stiefl, Nadine Schneider
PREFER: A New Predictive Modeling Framework for Molecular Discovery. Journal of chemical information and modeling (2023)
Oh-Hyeon Choung, Riccardo Vianello, Marwin Segler, Nikolaus Stiefl, José Jiménez-Luna
Extracting medicinal chemistry intuition via preference machine learning. Nature communications 14 (1) (2023)
Maximilian Beckers, Nikolas Fechner, Nikolaus Stiefl
25 Years of Small-Molecule Optimization at Novartis: A Retrospective Analysis of Chemical Series Evolution. Journal of chemical information and modeling (2022)
Carmen Esposito, Gregory A Landrum, Nadine Schneider, Nikolaus Stiefl, Sereina Riniker
GHOST: Adjusting the Decision Threshold to Handle Imbalanced Data in Machine Learning. Journal of chemical information and modeling 61 (6) (2021)
Enrico Ferrero, Sophie Brachat, Jeremy L Jenkins, Philippe Marc, Peter Skewes-Cox, Robert C Altshuler, Caroline Gubser Keller, Audrey Kauffmann, Erik K Sassaman, Jason M Laramie, Birgit Schoeberl, Mark L Borowsky, Nikolaus Stiefl
Ten simple rules to power drug discovery with data science. PLoS computational biology 16 (8) (2020)
Franziska Kruger, Nikolaus Stiefl, Gregory A Landrum
rdScaffoldNetwork: The Scaffold Network Implementation in RDKit. Journal of chemical information and modeling 60 (7) (2020)
Franziska Kruger, Nikolas Fechner, Nikolaus Stiefl
Automated Identification of Chemical Series: Classifying like a Medicinal Chemist. Journal of chemical information and modeling 60 (6) (2020)
Ansgar Schuffenhauer, Nadine Schneider, Samuel Hintermann, Douglas S Auld, Jutta Blank, Simona Cotesta, Caroline Engeloch, Nikolas Fechner, Christoph Gaul, Jerome Giovannoni, Johanna M Jansen, John Joslin, Philipp Krastel, Eugen Lounkine, John Manchester, Lauren G Monovich, Anna Paola Pelliccioli, Manuel Schwarze, Michael D Shultz, Nikolaus Stiefl, Daniel K Baeschlin
Evolution of Novartis' Small Molecule Screening Deck Design. Journal of medicinal chemistry 63 (23) (2020)