Nanomaterial Texture-Based Machine Learning of Ciprofloxacin Adsorption on Nanoporous Carbon.

Autor: Käärik M; Institute of Chemistry, University of Tartu, Ravila 14a, 50411 Tartu, Estonia., Krjukova N; Institute of Chemistry, University of Tartu, Ravila 14a, 50411 Tartu, Estonia., Maran U; Institute of Chemistry, University of Tartu, Ravila 14a, 50411 Tartu, Estonia., Oja M; Institute of Chemistry, University of Tartu, Ravila 14a, 50411 Tartu, Estonia., Piir G; Institute of Chemistry, University of Tartu, Ravila 14a, 50411 Tartu, Estonia., Leis J; Institute of Chemistry, University of Tartu, Ravila 14a, 50411 Tartu, Estonia.; Skeleton Technologies, Sepise 7, 11415 Tallinn, Estonia.

Publikováno v: International journal of molecular sciences [Int J Mol Sci] 2024 Oct 30; Vol. 25 (21). Date of Electronic Publication: 2024 Oct 30.

Pesticide effect on earthworm lethality via interpretable machine learning.

Autor: Kotli M; University of Tartu, Institute of Chemistry, Tartu, Estonia., Piir G; University of Tartu, Institute of Chemistry, Tartu, Estonia., Maran U; University of Tartu, Institute of Chemistry, Tartu, Estonia. Electronic address: uko.maran@ut.ee.

Publikováno v: Journal of hazardous materials [J Hazard Mater] 2024 Jan 05; Vol. 461, pp. 132577. Date of Electronic Publication: 2023 Sep 18.

P05-01 Ensuring in silico models for toxicology are FAIR

Autor: Cronin, M.T., Basiri, H., Belfield, S.J., Enoch, S.J., Firman, J.W., Hardy, B., Madden, J.C., Maran, U., Piir, G., Sild, S.

Publikováno v: In Toxicology Letters September 2024 399 Supplement 2:S132-S132

ELIXIR and Toxicology: a community in development.

Autor: Martens M; Department of Bioinformatics - BiGCaT, Maastricht University, Maastricht, 6229 ER, The Netherlands., Stierum R; Risk Analysis for Products In Development (RAPID), Netherlands Organisation for applied scientific research TNO, Utrecht, 3584 CB, The Netherlands., Schymanski EL; Luxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, Belvaux, 4367, Luxembourg., Evelo CT; Department of Bioinformatics - BiGCaT, Maastricht University, Maastricht, 6229 ER, The Netherlands.; Maastricht Centre for Systems Biology (MaCSBio), Maastricht University, Maastricht, 6229 EN, The Netherlands., Aalizadeh R; Laboratory of Analytical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Athens, 15771, Greece., Aladjov H; Institute of Biophysics and Biomedical Engineering, Bulgarian Academy of Sciences, Sofia, 1113, Bulgaria., Arturi K; Department Environmental Chemistry, Swiss Federal Institute of Aquatic Science and Technology, Dübendorf, 8600, Switzerland., Audouze K; Université de Paris, Paris, F-75006, France., Babica P; RECETOX, Faculty of Science, Masaryk University, Brno, Czech Republic., Berka K; Department of Physical Chemistry, Palacky University Olomouc, Olomouc, 77146, Czech Republic., Bessems J; Unit Health, VITO, Mol, 2400, Belgium., Blaha L; RECETOX, Faculty of Science, Masaryk University, Brno, Czech Republic., Bolton EE; National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD 20894, USA., Cases M; Chemotargets SL, Barcelona, 08028, Spain., Damalas DΕ; Laboratory of Analytical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Athens, 15771, Greece., Dave K; School of Science, GSFC University, Gujarat, 391750, India., Dilger M; Forschungs- und Beratungsinstitut Gefahrstoffe (FoBiG) GmbH, Freiburg im Breisgau, 79106, Germany., Exner T; Seven Past Nine, Cerknica, 1380, Slovenia., Geerke DP; AIMMS Division of Molecular Toxicology, Vrije Universiteit, Amsterdam, 1081 HZ, The Netherlands., Grafström R; Department of Toxicology, Misvik Biology, Turku, 20520, Finland.; Institute of Environmental Medicine, Karolinska Institute, Stockholm, 17177, Sweden., Gray A; Department of Computer Science, Heriot-Watt University, Edinburgh, UK., Hancock JM; ELIXIR Hub, Wellcome Genome Campus, Cambridge, CB10 1SD, UK., Hollert H; Department Evolutionary Ecology & Environmental Toxicology (E3T), Goethe-University, Frankfurt, D-60438, Germany., Jeliazkova N; Ideaconsult Ltd., Sofia, Bulgaria., Jennen D; Department of Toxicogenomics, Maastricht University, Maastricht, 6200 MD, The Netherlands., Jourdan F; MetaboHUB, French metabolomics infrastructure in Metabolomics and Fluxomics, Toulouse, France.; Toxalim (Research Centre in Food Toxicology), Université de Toulouse, Toulouse, France., Kahlem P; Scientific Network Management SL, Barcelona, 08015, Spain., Klanova J; RECETOX, Faculty of Science, Masaryk University, Brno, Czech Republic., Kleinjans J; Department of Toxicogenomics, Maastricht University, Maastricht, 6200 MD, The Netherlands., Kondic T; Luxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, Belvaux, 4367, Luxembourg., Kone B; Faculty of Pharmacy, Malaria Research and Training Center, Bamako, BP:1805, Mali., Lynch I; School of Geography, Earth and Environmental Sciences, University of Birmingham, UK, Birmingham, B15 2TT, UK., Maran U; Institute of Chemistry, University of Tartu, Tartu, 50411, Estonia., Martinez Cuesta S; Data Sciences and Quantitative Biology, Discovery Sciences, AstraZeneca, Cambridge, UK., Ménager H; Institut Français de Bioinformatique, Evry, F-91000, France.; Bioinformatics and Biostatistics Hub, Institut Pasteur, Paris, F-75015, France., Neumann S; Research group Bioinformatics and Scientific Data, Leibniz Institute of Plant Biochemistry, Halle, 06120, Germany., Nymark P; Institute of Environmental Medicine, Karolinska Institute, Stockholm, 17177, Sweden., Oberacher H; Institute of Legal Medicine and Core Facility Metabolomics, Medical University of Innsbruck, Innsbruck, A-6020, Austria., Ramirez N; Institut d'Investigacio Sanitaria Pere Virgili-Universitat Rovira i Virgili, Tarragona, 43007, Spain., Remy S; Unit Health, VITO, Mol, 2400, Belgium., Rocca-Serra P; Data Readiness Group, Department of Engineering Science, University of Oxford, Oxford, UK., Salek RM; International Agency for Research on Cancer, World Health Organisation, Lyon, 69372, France., Sallach B; Department of Environment and Geography, University of York, UK, York, YO10 5NG, UK., Sansone SA; Data Readiness Group, Department of Engineering Science, University of Oxford, Oxford, UK., Sanz F; Research Programme on Biomedical Informatics (GRIB), Hospital del Mar Medical Research Institute (IMIM), Department of Experimental and Health Sciences, Pompeu Fabra University, Barcelona, 08003, Spain., Sarimveis H; National Technical University of Athens, Athens, 15780, Greece., Sarntivijai S; ELIXIR Hub, Wellcome Genome Campus, Cambridge, CB10 1SD, UK., Schulze T; Helmholtz Centre for Environmental Research - UFZ, Leipzig, 04318, Germany., Slobodnik J; Environmental Institute, Koš, 97241, Slovakia., Spjuth O; Department of Pharmaceutical Biosciences and Science for Life Laboratory, Uppsala University, Uppsala, SE-75124, Sweden., Tedds J; ELIXIR Hub, Wellcome Genome Campus, Cambridge, CB10 1SD, UK., Thomaidis N; Laboratory of Analytical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Athens, 15771, Greece., Weber RJM; School of Biosciences, University of Birmingham, UK, Birmingham, B15 2TT, UK., van Westen GJP; Division of Drug Discovery and Safety, Leiden Academic Center for Drug Research, Leiden, 2333 CC, The Netherlands., Wheelock CE; Department of Respiratory Medicine and Allergy, Karolinska University Hospital, Stockholm SE-141-86, Sweden.; Department of Medical Biochemistry and Biophysics, Karolinska Institute, Stockholm, 17177, Sweden., Williams AJ; Center for Computational Toxicology and Exposure, United States Environmental Protection Agency, Research Triangle Park, NC 27711, USA., Witters H; Unit Health, VITO, Mol, 2400, Belgium., Zdrazil B; Department of Pharmaceutical Sciences, University of Vienna, Vienna, 1090, Austria., Županič A; Department Biotechnology and Systems Biology, National Institute of Biology, Ljubljana, 1000, Slovenia., Willighagen EL; Department of Bioinformatics - BiGCaT, Maastricht University, Maastricht, 6229 ER, The Netherlands.

Publikováno v: F1000Research [F1000Res] 2023 Oct 03; Vol. 10. Date of Electronic Publication: 2023 Oct 03 (Print Publication: 2021).

Intrinsic Aqueous Solubility: Mechanistically Transparent Data-Driven Modeling of Drug Substances.

Autor: Oja M; Institute of Chemistry, University of Tartu, Ravila 14A, 50411 Tartu, Estonia., Sild S; Institute of Chemistry, University of Tartu, Ravila 14A, 50411 Tartu, Estonia., Piir G; Institute of Chemistry, University of Tartu, Ravila 14A, 50411 Tartu, Estonia., Maran U; Institute of Chemistry, University of Tartu, Ravila 14A, 50411 Tartu, Estonia.

Publikováno v: Pharmaceutics [Pharmaceutics] 2022 Oct 21; Vol. 14 (10). Date of Electronic Publication: 2022 Oct 21.