研究紹介
研究テーマ
Retrosynthesis
キーワード
Monte Carlo Search, optimization, retrosynthesis, tree search, heuristics, AI
研究概要
My research focuses on the application of tree search and Monte Carlo Search to different problems, such as mathematics, logistics, and chemistry.
代表的な研究成果
- Refutation of Spectral Graph Theory Conjectures with Monte Carlo Search
M. Roucairol, T. Cazenave, Computing and Combinatorics, Zhang, Y.; Miao, D.; Möhring, R., Eds.; Springer: Cham, Switzerland, 2022, 162-176
DOI : 10.1007/978-3-031-22105-7_15 - Solving the Hydrophobic-Polar Model with Nested Monte Carlo Search
M. Roucairol, T. Cazenave, Advances in Computational Collective Intelligence, Nguyen, N. T.; Botzheim, J.; Gulyás, L.; Nunez, M.; Treur, J.; Vossen, G.; Kozierkiewicz, A., Eds.; Springer: Cham, Switzerland, 2023, 619-631
DOI : 10.1007/978-3-031-41774-0_49 - Lazy Nested Monte Carlo Search for Coalition Structure Generation
M. Roucairol, J. Arjonilla, A. Saffidine, T. Cazenave, ICAART (2), 2024, 58-67
DOI : 10.5220/0012302300003636 - Comparing search algorithms on the retrosynthesis problem
M. Roucairol, T. Cazenave, Mol. Inform., 2024, 43, e202300259
DOI : 10.1002/minf.202300259 - DrugSynthMC: An Atom-Based Generation of Drug-like Molecules with Monte Carlo Search
M. Roucairol, A. Georgiou, T. Cazenave, F. Prischi, O. E. Pardo, J. Chem. Inf. Model., 2024, 64, 18, 7097-7107
DOI : 10.1021/acs.jcim.4c01451