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Journal of Chemical Information and Modeling|November 28, 2017
xMaP-An Interpretable Alignment-Free Four-Dimensional Quantitative Structure-Activity Relationship Technique Based on Molecular Surface Properties and Conformer EnsemblesJan Dreher, Josef Scheiber, Nikolaus Stiefl, et al.Journal of Computer-Aided Molecular Design|February 26, 2005
Validation tools for variable subset regressionKnut Baumann, Nikolaus StieflJournal of Medicinal Chemistry|April 4, 2003
Mapping property distributions of molecular surfaces: algorithm and evaluation of a novel 3D quantitative structure-activity relationship techniqueNikolaus Stiefl, Knut BaumannJournal of Chemical Information and Modeling|June 1, 2005
Structure-based validation of the 3D-QSAR technique MaPNikolaus Stiefl, Knut BaumannJournal of Computer-Aided Molecular Design|November 26, 2003
Evaluation of extended parameter sets for the 3D-QSAR technique MaP: implications for interpretability and model quality exemplified by antimalarially active naphthylisoquinoline alkaloidsNikolaus Stiefl, Gerhard Bringmann, Christian Rummey, et al.Journal of Chemical Information and Modeling|January 24, 2006
ErG: 2D pharmacophore descriptions for scaffold hoppingNikolaus Stiefl, Ian A Watson, Knut Baumann, et al.Chemmedchem|August 26, 2006
Aziridide-based inhibitors of cathepsin L: synthesis, inhibition activity, and docking studiesRadim Vicik, Matthias Busemann, Christoph Gelhaus, et al.Journal of Medicinal Chemistry|June 25, 2004
Probing the pharmacophore for allosteric ligands of muscarinic M2 receptors: SAR and QSAR studies in a series of bisquaternary salts of caracurine V and related ring systemsDarius P Zlotos, Stefan Buller, Nikolaus Stiefl, et al.Archiv Der Pharmazie|November 26, 2003
Synthesis, biological activity, and docking studies of new acetylcholinesterase inhibitors of the bispyridinium typePetra Kapková, Nikolaus Stiefl, Ulf Sürig, et al.Journal of Chemical Information and Modeling|March 28, 2006
A knowledge-based weighting approach to ligand-based virtual screeningNikolaus Stiefl, Andrea ZalianiPageof 11