All papers authored by Nikolaus Stiefl
Refreshing results…
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
and 3 other authors
,
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
and 3 other authors
Discovery of Potent, Orally Bioavailable, Tricyclic NLRP3 Inhibitors
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2023
Oh-Hyeon Choung ,
Riccardo Vianello,
Marwin Segler,
Nikolaus Stiefl ,
José Jiménez-Luna
,
Riccardo Vianello,
Marwin Segler,
Nikolaus Stiefl ,
José Jiménez-Luna
Extracting medicinal chemistry intuition via preference machine learning
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Clemens Isert ,
Jimmy C. Kromann ,
Nikolaus Stiefl ,
Gisbert Schneider ,
Richard A. Lewis
,
Jimmy C. Kromann ,
Nikolaus Stiefl ,
Gisbert Schneider ,
Richard A. Lewis
Machine Learning for Fast, Quantum Mechanics-Based Approximation of Drug Lipophilicity
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2021
Carmen Esposito ,
Gregory A. Landrum ,
Nadine Schneider ,
Nikolaus Stiefl ,
Sereina Riniker
,
Gregory A. Landrum ,
Nadine Schneider ,
Nikolaus Stiefl ,
Sereina Riniker
GHOST: Adjusting the Decision Threshold to Handle Imbalanced Data in Machine Learning
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2020
Ansgar Schuffenhauer ,
Nadine Schneider ,
Samuel Hintermann ,
Douglas Auld ,
Jutta Blank,
Simona Cotesta,
Caroline Engeloch,
Nikolas Fechner ,
Christoph Gaul ,
Jerome Giovannoni,
Johanna Jansen ,
John Joslin,
Philipp Krastel,
Eugen Lounkine,
John Manchester
and 6 other authors
,
Nadine Schneider ,
Samuel Hintermann ,
Douglas Auld ,
Jutta Blank,
Simona Cotesta,
Caroline Engeloch,
Nikolas Fechner ,
Christoph Gaul ,
Jerome Giovannoni,
Johanna Jansen ,
John Joslin,
Philipp Krastel,
Eugen Lounkine,
John Manchester
and 6 other authors
Evolution of Novartis’ Small Molecule Screening Deck Design
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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
,
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
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