Lisa Sach-Peltason

According to our database, Lisa Sach-Peltason authored at least 8 papers between 2009 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

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

2023

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., January, 2023

2014

Blocked Inverted Indices for Exact Clustering of Large Chemical Spaces.

Philipp Thiel, Lisa Sach-Peltason, Christian Ottmann, Oliver Kohlbacher

J. Chem. Inf. Model., 2014

2013

Deterministic clustering of the available chemical space.

Philipp Thiel, Lisa Peltason, Christian Ottmann, Oliver Kohlbacher

J. Cheminformatics, 2013

2012

SAR Analyzer: a tool for interactive SAR data visualization and navigation.

Lisa Peltason, Daniel Stoffler

J. Cheminformatics, 2012

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

Systematic extraction of structure-activity relationship information from biological screening data.

Mathias Wawer, Lisa Peltason, Jürgen Bajorath

J. Cheminformatics, 2010

2009

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