Mario Öeren

ORCID

Publication Activity (10 Years)

Years Active: 2016-2023
Publications (10 Years): 10

Top Venues

Journal of chemical theory and computation

Chemical science

Chemical communications (Cambridge, England)

Journal of medicinal chemistry

Optibrium Ltd

Tallinn University of Technology (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Optibrium Ltd Aug 01 2019

United Kingdom

Principal Scientist

Optibrium Ltd Jan 02 2017 - Aug 01 2019

United Kingdom

Senior Scientist

Tallinn University of Technology Jan 02 2007 - Dec 30 2015

Estonia

Part Time Research Assistant :: Department of Chemistry

Tallinn University of Technology Sep 01 2009 - May 31 2013

Estonia

Part Time Teaching Assistant :: Department of Chemistry

Tallinna Nõmme Gümnaasium Sep 01 2009 - May 31 2012

Estonia

Part Time Chemistry Teacher

Education History

Tallinn University of Technology Sep 01 2011 - Dec 04 2015

Estonia

PHD :: Department of Chemistry

Publications

Elena Gelžinytė, Mario Öeren, Matthew D Segall, Gábor Csányi
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules. Journal of chemical theory and computation 20 (1) (2023)
Elena Gelžinytė, Mario Öeren, Matthew D Segall, Gábor Csányi
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules. Journal of chemical theory and computation 20 (1) (2023)
Mario Öeren, Sylvia C Kaempf, David J Ponting, Peter A Hunt, Matthew D Segall
Predicting Regioselectivity of Cytosolic Sulfotransferase Metabolism for Drugs. Journal of chemical information and modeling (2023)
Elena Gelžinytė, Mario Öeren, Matthew D Segall, Gábor Csányi
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules. Journal of chemical theory and computation (2023)
Elena Gelžinytė, Mario Öeren, Matthew D Segall, Gábor Csányi
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules. Journal of chemical theory and computation (2023)
Elena Gelžinytė, Mario Öeren, Matthew D Segall, Gábor Csányi
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules. Journal of chemical theory and computation 20 (1) (2023)
Mario Öeren, Peter J Walton, James Suri, David J Ponting, Peter A Hunt, Matthew D Segall
Predicting Regioselectivity of AO, CYP, FMO, and UGT Metabolism Using Quantum Mechanical Simulations and Machine Learning. Journal of medicinal chemistry 65 (20) (2022)
Kamini A Mishra, Jasper Adamson, Mario Öeren, Sandra Kaabel, Maria Fomitšenko, Riina Aav
Dynamic chiral cyclohexanohemicucurbit[12]uril. Chemical communications (Cambridge, England) 56 (93) (2020)
Mario Öeren, Peter J Walton, Peter A Hunt, David J Ponting, Matthew D Segall
Predicting reactivity to drug metabolism: beyond P450s-modelling FMOs and UGTs. Journal of computer-aided molecular design 35 (4) (2020)
Sandra Kaabel, Jasper Adamson, Filip Topic, Anniina Kiesilä, Elina Kalenius, Mario Öeren, Mart Reimund, Elena Prigorchenko, Aivar Lõokene, Hans J Reich, Kari T Rissanen, Riina Aav
Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution. Chemical science 8 (3) (2016)

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Publication Activity (10 Years)

Top Topics

Top Venues

Mario Öeren