Mikhail Kabeshov

According to our database, Mikhail Kabeshov authored at least 11 papers between 2024 and 2026.

Collaborative distances:

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

2026

Bridging Chemists and AI: An Expert-Augmented Framework for Interpretable Route Evaluation.

Yujia Guo, Mikhail Kabeshov, Tat Hong Duong Le, Samuel Genheden, Marco V. Mijangos, Varvara Voinarvoska, Giulia Bergonzini, Ola Engkvist, Samuel Kaski

CoRR, May, 2026

2025

SMARTS-RX: a SMARTS-based representation of chemical functions for reactivity analysis.

Thierry Kogej, Christos Kannas, Samuel Genheden, Eike Caldeweyher, Mikhail Kabeshov

J. Cheminformatics, December, 2025

MolEncoder: Improved Masked Language Modeling for Molecules.

Fabian Krüger, Nicklas Österbacka, Mikhail Kabeshov, Ola Engkvist, Igor V. Tetko

Proceedings of the Artificial Neural Networks and Machine Learning. ICANN 2025 International Workshops and Special Sessions, 2025

2024

Human-in-the-loop active learning for goal-oriented molecule generation.

Yasmine Nahal, Janosch Menke, Julien Martinelli, Markus Heinonen, Mikhail Kabeshov, Jon Paul Janet, Eva Nittinger, Ola Engkvist, Samuel Kaski

J. Cheminformatics, December, 2024

Metis: a python-based user interface to collect expert feedback for generative chemistry models.

Janosch Menke, Yasmine Nahal, Esben Jannik Bjerrum, Mikhail Kabeshov, Samuel Kaski, Ola Engkvist

J. Cheminformatics, December, 2024

When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges.

Varvara Voinarovska, Mikhail Kabeshov, Dmytro Dudenko, Samuel Genheden, Igor V. Tetko

J. Chem. Inf. Model., January, 2024

Do Chemformers Dream of Organic Matter? Evaluating a Transformer Model for Multistep Retrosynthesis.

Annie M. Westerlund, Siva Manohar Koki, Supriya Kancharla, Alessandro Tibo, Lakshidaa Saigiridharan, Mikhail Kabeshov, Rocío Mercado, Samuel Genheden

J. Chem. Inf. Model., 2024

QSARtuna: An Automated QSAR Modeling Platform for Molecular Property Prediction in Drug Design.

Lewis H. Mervin, Alexey Voronov, Mikhail Kabeshov, Ola Engkvist

J. Chem. Inf. Model., 2024

PepINVENT: Generative peptide design beyond the natural amino acids.

Gökçe Geylan, Jon Paul Janet, Alessandro Tibo, Jiazhen He, Atanas Patronov, Mikhail Kabeshov, Florian David, Werngard Czechtizky, Ola Engkvist, Leonardo De Maria

CoRR, 2024

Navigating the Maize: Cyclic and conditional computational graphs for molecular simulation.

Thomas Löhr, Michael Dodds, Lili Cao, Mikhail Kabeshov, Michele Assante, Jon Paul Janet, Marco Klähn, Ola Engkvist

CoRR, 2024

Towards Interpretable Models of Chemist Preferences for Human-in-the-Loop Assisted Drug Discovery.

Yasmine Nahal, Markus Heinonen, Mikhail Kabeshov, Jon Paul Janet, Eva Nittinger, Ola Engkvist, Samuel Kaski

Proceedings of the AI in Drug Discovery - First International Workshop, 2024