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ECO ITN publications
Environmental ChemOinformatic - FP7 Marie Curie Innovative Training Network
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Title
Cited by
Cited by
Year
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
I Sushko, S Novotarskyi, R Körner, AK Pandey, M Rupp, W Teetz, ...
Journal of computer-aided molecular design 25, 533-554, 2011
5902011
Comparison of different approaches to define the applicability domain of QSAR models
F Sahigara, K Mansouri, D Ballabio, A Mauri, V Consonni, R Todeschini
Molecules 17 (5), 4791-4810, 2012
4752012
Relative importance of microplastics as a pathway for the transfer of hydrophobic organic chemicals to marine life
A Bakir, IA O'Connor, SJ Rowland, AJ Hendriks, RC Thompson
Environmental pollution 219, 56-65, 2016
4512016
Internalization and cytotoxicity of graphene oxide and carboxyl graphene nanoplatelets in the human hepatocellular carcinoma cell line Hep G2
T Lammel, P Boisseaux, ML Fernández-Cruz, JM Navas
Particle and fibre toxicology 10, 1-21, 2013
4162013
Quantitative structure–activity relationship models for ready biodegradability of chemicals
K Mansouri, T Ringsted, D Ballabio, R Todeschini, V Consonni
Journal of chemical information and modeling 53 (4), 867-878, 2013
2582013
ToxAlerts: a web server of structural alerts for toxic chemicals and compounds with potential adverse reactions
I Sushko, E Salmina, VA Potemkin, G Poda, IV Tetko
Journal of chemical information and modeling 52 (8), 2310-2316, 2012
2472012
Degree of deacetylation of chitosan by infrared spectroscopy and partial least squares
IKD Dimzon, TP Knepper
International journal of biological macromolecules 72, 939-945, 2015
1512015
Analysis of perfluoroalkyl substances in waters from Germany and Spain
M Llorca, M Farré, Y Picó, J Müller, TP Knepper, D Barceló
Science of the total environment 431, 139-150, 2012
1502012
Species-specific toxicity of copper nanoparticles among mammalian and piscine cell lines
L Song, M Connolly, ML Fernández-Cruz, MG Vijver, M Fernández, ...
Nanotoxicology 8 (4), 383-393, 2014
1252014
Review of the partitioning of chemicals into different plastics: consequences for the risk assessment of marine plastic debris
IA O'Connor, L Golsteijn, AJ Hendriks
Marine Pollution Bulletin 113 (1-2), 17-24, 2016
1232016
A comparative analysis on the in vivo toxicity of copper nanoparticles in three species of freshwater fish
L Song, MG Vijver, WJGM Peijnenburg, TS Galloway, CR Tyler
Chemosphere 139, 181-189, 2015
1122015
Identification of small-molecule frequent hitters from AlphaScreen high-throughput screens
K Schorpp, I Rothenaigner, E Salmina, J Reinshagen, T Low, JK Brenke, ...
Journal of biomolecular screening 19 (5), 715-726, 2014
1032014
Locally centred Mahalanobis distance: a new distance measure with salient features towards outlier detection
R Todeschini, D Ballabio, V Consonni, F Sahigara, P Filzmoser
Analytica chimica acta 787, 1-9, 2013
1032013
Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions
F Sahigara, D Ballabio, R Todeschini, V Consonni
Journal of cheminformatics 5, 1-9, 2013
992013
Prediction of Acute Aquatic Toxicity toward Daphnia Magna by using the GA-kNN Method
M Cassotti, D Ballabio, V Consonni, A Mauri, IV Tetko, R Todeschini
Alternatives to Laboratory Animals 42 (1), 31-41, 2014
872014
Comparative cytotoxicity induced by bulk and nanoparticulated ZnO in the fish and human hepatoma cell lines PLHC-1 and Hep G2
ML Fernández-Cruz, T Lammel, M Connolly, E Conde, AI Barrado, ...
Nanotoxicology 7 (5), 935-952, 2013
792013
Photodegradation of sulfonamides and their N 4-acetylated metabolites in water by simulated sunlight irradiation: kinetics and identification of photoproducts
M Periša, S Babić, I Škorić, T Frömel, TP Knepper
Environmental Science and Pollution Research 20, 8934-8946, 2013
762013
Modeling the biodegradability of chemical compounds using the online CHEmical modeling environment (OCHEM)
S Vorberg, IV Tetko
Molecular Informatics 33 (1), 73-85, 2014
742014
Development of dimethyl sulfoxide solubility models using 163 000 molecules: using a domain applicability metric to select more reliable predictions
IV Tetko, S Novotarskyi, I Sushko, V Ivanov, AE Petrenko, R Dieden, ...
Journal of chemical information and modeling 53 (8), 1990-2000, 2013
692013
Graphene nanoplatelets spontaneously translocate into the cytosol and physically interact with cellular organelles in the fish cell line PLHC-1
T Lammel, JM Navas
Aquatic toxicology 150, 55-65, 2014
662014
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