Leonid Komissarov

According to our database, Leonid Komissarov authored at least 4 papers between 2021 and 2025.

Collaborative distances:

• Dijkstra number of six.
• 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

2021

Improving the Silicon Interactions of GFN-xTB.

Leonid Komissarov, Toon Verstraelen

J. Chem. Inf. Model., 2021

ParAMS: Parameter Optimization for Atomistic and Molecular Simulations.

Leonid Komissarov, Robert Rüger, Matti Hellström, Toon Verstraelen

J. Chem. Inf. Model., 2021