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Mario Öeren
Mario Öeren
Principal Scientist at Optibrium
Verified email at optibrium.com
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Cited by
Cited by
Year
3‐Chlorooxindoles: versatile starting materials for asymmetric organocatalytic synthesis of spirooxindoles
A Noole, M Ošeka, T Pehk, M Oeeren, I Jaerving, MRJ Elsegood, ...
Advanced Synthesis & Catalysis 355 (5), 829-835, 2013
942013
Chiral hemicucurbit [8] uril as an anion receptor: selectivity to size, shape and charge distribution
S Kaabel, J Adamson, F Topić, A Kiesilä, E Kalenius, M Öeren, ...
Chemical Science 8 (3), 2184-2190, 2017
672017
Template-controlled synthesis of chiral cyclohexylhemicucurbit [8] uril
E Prigorchenko, M Öeren, S Kaabel, M Fomitšenko, I Reile, I Järving, ...
Chemical communications 51 (54), 10921-10924, 2015
552015
Thiourea-catalyzed domino Michael–Mannich [3+ 2] cycloadditions: A strategy for the asymmetric synthesis of 3, 3′-pyrrolidinyl-dispirooxindoles
Y Zhi, K Zhao, C von Essen, K Rissanen, D Enders
Synlett 28 (20), 2876-2880, 2017
322017
Asymmetric diastereoselective synthesis of spirocyclopropane derivatives of oxindole
M Ošeka, A Noole, S Žari, M Öeren, I Järving, M Lopp, T Kanger
European Journal of Organic Chemistry 2014 (17), 3599-3606, 2014
302014
Computational and ion mobility MS study of (all-S)-cyclohexylhemicucurbit [6] uril structure and complexes
M Öeren, E Shmatova, T Tamm, R Aav
Physical Chemistry Chemical Physics 16 (36), 19198-19205, 2014
272014
New homologues of chiral cyclohexylhemicucurbit[n]urils
M Fomitšenko, E Shmatova, M Öeren, I Järving, R Aav
Supramolecular Chemistry 26 (9), 698-703, 2014
212014
Organocatalytic asymmetric addition of malonates to unsaturated 1, 4-diketones
S Žari, T Kailas, M Kudrjashova, M Öeren, I Järving, T Tamm, M Lopp, ...
Beilstein Journal of Organic Chemistry 8 (1), 1452-1457, 2012
162012
An open drug discovery competition: experimental validation of predictive models in a series of novel antimalarials
EG Tse, L Aithani, M Anderson, J Cardoso-Silva, G Cincilla, GJ Conduit, ...
Journal of Medicinal Chemistry 64 (22), 16450-16463, 2021
142021
Predicting reactivity to drug metabolism: beyond P450s—modelling FMOs and UGTs
M Öeren, PJ Walton, PA Hunt, DJ Ponting, MD Segall
Journal of Computer-Aided Molecular Design 35 (4), 541-555, 2021
142021
Predicting regioselectivity of AO, CYP, FMO, and UGT metabolism using quantum mechanical simulations and machine learning
M Oeren, PJ Walton, J Suri, DJ Ponting, PA Hunt, MD Segall
Journal of Medicinal Chemistry 65 (20), 14066-14081, 2022
122022
Dynamic chiral cyclohexanohemicucurbit [12] uril
KA Mishra, J Adamson, M Öeren, S Kaabel, M Fomitšenko, R Aav
Chemical Communications 56 (93), 14645-14648, 2020
122020
Asymmetric organocatalytic cascade synthesis of tetrahydrofuranyl spirooxindoles
D Trubitsõn, S Žari, S Kaabel, M Kudrjashova, K Kriis, I Järving, T Pehk, ...
Synthesis 50 (02), 314-322, 2018
82018
predicting regioselectivity of cytosolic Sulfotransferase metabolism for drugs
M Öeren, SC Kaempf, DJ Ponting, PA Hunt, MD Segall
Journal of Chemical Information and Modeling 63 (11), 3340-3349, 2023
42023
Binding Between Cyclohexanohemicucurbit[n]urils and Polar Organic Guests
L Ustrnul, T Burankova, M Öeren, K Juhhimenko, J Ilmarinen, K Siilak, ...
Frontiers in Chemistry 9, 701028, 2021
42021
Transferable machine learning interatomic potential for bond dissociation energy prediction of drug-like molecules
E Gelžinytė, M Öeren, MD Segall, G Csányi
Journal of Chemical Theory and Computation 20 (1), 164-177, 2023
32023
Predicting routes of phase I and II metabolism based on quantum mechanics and machine learning
M Öeren, PA Hunt, CE Wharrick, H Tabatabaei Ghomi, MD Segall
Xenobiotica, 1-49, 2023
12023
Mechanisms and predictions of UGT metabolism
M Öeren, P Hunt, D Ponting, M Segall
Optibrium Community, 2019
12019
N-and S-oxidation model of the Flavin-containing monooxygenases
P Walton, M Öeren, P Hunt, M Segall
Optibrium Community, 2019
12019
Isomers and conformers of complexes of Ti(OiPr)4 with cyclopentane‐1,2‐dione: NMR study and DFT calculations
I Osadchuk, T Pehk, A Paju, M Lopp, M Öeren, T Tamm
International Journal of Quantum Chemistry 114 (15), 1012-1018, 2014
12014
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