Nikolaus Stiefl
Roche (Switzerland)(CH)Novartis (Switzerland)(CH)Hochschule Aalen(DE)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Machine Learning in Materials Science, Analytical Chemistry and Chromatography, Chemical Synthesis and Analysis, Protein Structure and Dynamics
Most-Cited Works
- → Bringing the MMFF force field to the RDKit: implementation and validation(2014)259 cited
- → What’s What: The (Nearly) Definitive Guide to Reaction Role Assignment(2016)231 cited
- → ErG: 2D Pharmacophore Descriptions for Scaffold Hopping(2005)183 cited
- → GHOST: Adjusting the Decision Threshold to Handle Imbalanced Data in Machine Learning(2021)170 cited
- → Crystal Structure of NLRP3 NACHT Domain With an Inhibitor Defines Mechanism of Inflammasome Inhibition(2021)152 cited
- → Structural resemblances and comparisons of the relative pharmacological properties of imatinib and nilotinib(2010)150 cited
- → Evaluation of machine-learning methods for ligand-based virtual screening