Structural Interpretation of Activity Cliffs Revealed by Systematic Analysis of Structure-Activity Relationships in Analog Series. - Mihiret Tekeste Sisay; Lisa Peltason; Jürgen Bajorath (J. Chem. Inf. Model., 2009)

Systematic extraction of structure-activity relationship information from biological screening data. - Mathias Wawer; Lisa Peltason; Jürgen Bajorath (J. Cheminformatics, 2010)

Rationalizing Three-Dimensional Activity Landscapes and the Influence of Molecular Representations on Landscape Topology and the Formation of Activity Cliffs. - Lisa Peltason; Preeti Iyer; Jürgen Bajorath (J. Chem. Inf. Model., 2010)

SAR Analyzer: a tool for interactive SAR data visualization and navigation. - Lisa Peltason; Daniel Stoffler (J. Cheminformatics, 2012)

Deterministic clustering of the available chemical space. - Philipp Thiel; Lisa Peltason; Christian Ottmann; Oliver Kohlbacher (J. Cheminformatics, 2013)

Blocked Inverted Indices for Exact Clustering of Large Chemical Spaces. - Philipp Thiel; Lisa Sach-Peltason; Christian Ottmann; Oliver Kohlbacher (J. Chem. Inf. Model., 2014)

Computational Predictions of Nonclinical Pharmacokinetics at the Drug Design Stage. - Raya Stoyanova; Paul Maximilian Katzberger; Leonid Komissarov; Aous Khadhraoui; Lisa Sach-Peltason; Katrin Groebke Zbinden; Torsten Schindler; Nenad Manevski (J. Chem. Inf. Model., 2023)

Explainable Graph Neural Networks in Chemistry: Combining Attribution and Uncertainty Quantification. - Leonid Komissarov; Nenad Manevski; Katrin Groebke Zbinden; Lisa Sach-Peltason (J. Chem. Inf. Model., 2025)