Mikhail Kabeshov

9PUBLICATIONS
16CO-AUTHORS
Computational chemistryProcess control and simulationBiomolecular modelling and designChemical engineering design
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Publications (9)

|Sep 11, 2026
BONAFIDE: a Python framework for the calculation of local features for atoms and bonds in molecules.

|Jun 05, 2026
A Return to the Logic-First Spirit of Corey's Retrosynthetic Analysis, Now Implemented in Modern Data-Driven CASP.

|May 23, 2026
Toward Lab-Ready AI Synthesis Plans with Protection Strategies and Route Scoring.

|Sep 15, 2025
Predicting Reaction Feasibility and Selectivity of Aromatic C─H Thianthrenation with a QM-ML Hybrid Approach.

Lukas M Sigmund, Tina Seifert, Riya Halder

|Sep 12, 2025
Predicting reaction conditions: a data-driven perspective.

Matthew Ball, Dragos Horvath, Thierry Kogej

|Mar 12, 2025
Computational tools for the prediction of site- and regioselectivity of organic reactions.

Lukas M Sigmund, Michele Assante, Magnus J Johansson

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Frequent Collaborators

4 joint publications

Lukas M Sigmund

3 joint publications

Samuel Genheden

2 joint publications

Matthew Ball

2 joint publications

Annie M Westerlund