Nikolaus Stiefl

13PUBLICATIONS
40CO-AUTHORS
Biomolecular modelling and designMolecular targetsSemi- and unsupervised learningCheminformatics and quantitative structure-activity relationshipsBioinformatic methods development
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Publications (13)

|Jul 07, 2025
The changing landscape of medicinal chemistry optimization.

Anita Rácz, Levente M Mihalovits, Maximilian Beckers

|Aug 13, 2024
Balancing Molecular Size, Activity, Permeability, and Other Properties: Drug Candidates in the Context of Their Chemical Structure Optimization.

Maximilian Beckers, Finton Sirockin, Nikolas Fechner

|Jan 04, 2024
Discovery of Potent, Orally Bioavailable, Tricyclic NLRP3 Inhibitors.

Juraj Velcicky, Philipp Janser, Nina Gommermann

|Nov 01, 2023
Extracting medicinal chemistry intuition via preference machine learning.

Oh-Hyeon Choung, Riccardo Vianello, Marwin Segler

|Oct 10, 2023
Prediction of Small-Molecule Developability Using Large-Scale In Silico ADMET Models.

Maximilian Beckers, Noé Sturm, Finton Sirockin

|Jul 24, 2023
PREFER: A New Predictive Modeling Framework for Molecular Discovery.

Jessica Lanini, Gianluca Santarossa, Finton Sirockin

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