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ORCIDMikhail Kabeshov
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2020 – today
- 2024
[j5]Janosch Menke
, Yasmine Nahal, Esben Jannik Bjerrum, Mikhail Kabeshov, Samuel Kaski, Ola Engkvist:
Metis: a python-based user interface to collect expert feedback for generative chemistry models. J. Cheminformatics 16(1): 100 (2024)- [j4]Yasmine Nahal, Janosch Menke, Julien Martinelli, Markus Heinonen, Mikhail Kabeshov, Jon Paul Janet, Eva Nittinger, Ola Engkvist, Samuel Kaski:
Human-in-the-loop active learning for goal-oriented molecule generation. J. Cheminformatics 16(1): 138 (2024) - [j3]Varvara Voinarovska, Mikhail Kabeshov, Dmytro Dudenko, Samuel Genheden, Igor V. Tetko:
When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges. J. Chem. Inf. Model. 64(1): 42-56 (2024) - [j2]Annie M. Westerlund, Siva Manohar Koki, Supriya Kancharla, Alessandro Tibo, Lakshidaa Saigiridharan, Mikhail Kabeshov, Rocío Mercado, Samuel Genheden:
Do Chemformers Dream of Organic Matter? Evaluating a Transformer Model for Multistep Retrosynthesis. J. Chem. Inf. Model. 64(8): 3021-3033 (2024) - [j1]Lewis H. Mervin, Alexey Voronov, Mikhail Kabeshov, Ola Engkvist:
QSARtuna: An Automated QSAR Modeling Platform for Molecular Property Prediction in Drug Design. J. Chem. Inf. Model. 64(14): 5365-5374 (2024) - [c1]Yasmine Nahal, Markus Heinonen, Mikhail Kabeshov, Jon Paul Janet, Eva Nittinger, Ola Engkvist, Samuel Kaski:
Towards Interpretable Models of Chemist Preferences for Human-in-the-Loop Assisted Drug Discovery. AIDD@ICANN 2024: 58-70 - [i2]Thomas Löhr, Michael Dodds, Lili Cao, Mikhail Kabeshov, Michele Assante, Jon Paul Janet, Marco Klähn, Ola Engkvist:
Navigating the Maize: Cyclic and conditional computational graphs for molecular simulation. CoRR abs/2402.10064 (2024) - [i1]Gökçe Geylan, Jon Paul Janet, Alessandro Tibo, Jiazhen He, Atanas Patronov, Mikhail Kabeshov, Florian David, Werngard Czechtizky, Ola Engkvist, Leonardo De Maria:
PepINVENT: Generative peptide design beyond the natural amino acids. CoRR abs/2409.14040 (2024)
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