Search Results - "Netzeva, T."

The role of the European Chemicals Bureau in promoting the regulatory use of (Q)SAR methods by Worth, A. P., Bassan, A., De Bruijn, J., Gallegos Saliner, A., Netzeva, T., Pavan, M., Patlewicz, G., Tsakovska, I., Eisenreich, S.

“…Under the proposed REACH (Registration, Evaluation and Authorisation of CHemicals) legislation, (Q)SAR models and grouping methods (chemical categories and…”
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Validation of a QSAR model for acute toxicity by Pavan, M., Netzeva, T. I., Worth, A. P.

“…In the present study, a quantitative structure - activity relationship (QSAR) model has been developed for predicting acute toxicity to the fathead minnow…”
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Prediction of estrogenicity: validation of a classification model by Saliner, A. Gallegos, Netzeva, T. I., Worth, A. P.

“…(Q)SAR models can be used to reduce animal testing as well as to minimise the testing costs. In particular, classification models have been widely used for…”
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Selection of data sets for qsars: Analyses of tetrahymena toxicity from aromatic compounds by Schultz, T.W., Netzeva, T.I., Cronin, M.T.D.

“…The aim of this investigation was to develop a strategy for the formulation of a valid ecotoxicological-based QSAR while, at the same time, minimizing the…”
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Validation of counter propagation neural network models for predictive toxicology according to the OECD principles: a case study by Vračko, M., Bandelj, V., Barbieri, P., Benfenati, E., Chaudhry, Q., Cronin, M., Devillers, J., Gallegos, A., Gini, G., Gramatica, P., Helma, C., Mazzatorta, P., Neagu, D., Netzeva, T., Pavan, M., Patlewicz, G., Randić, M., Tsakovska, I., Worth, A.

“…The OECD has proposed five principles for validation of QSAR models used for regulatory purposes. Here we present a case study investigating how these…”
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Mode of action-based classification and prediction of activity of uncouplers for the screening of chemical inventories by Spycher, S., Netzeva, T.I., Worth, A.P., Escher, B.I.

“…A new approach for classification of uncouplers of oxidative and photophosphorylation, also suitable for screening of large chemical inventories, is…”
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Evaluation of SARs for the prediction of eye irritation/corrosion potential-structural inclusion rules in the BfR decision support system by Tsakovska, I., Saliner, A. Gallegos, Netzeva, T., Pavan, M., Worth, A. P.

“…The proposed REACH regulation within the European Union (EU) aims to minimise the number of laboratory animals used for human hazard and risk assessment while…”
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Toxicological evaluation and QSAR modelling of aromatic amines to Chlorella vulgaris by Netzeva, T.I, Dearden, J.C, Edwards, R, Worgan, A.D.P, Cronin, M.T.D

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Evaluation of QSARs for ecotoxicity: A method for assigning quality and confidence by Schultz, T.W., Netzeva, T.I., Cronin, M.T.D.

“…Validation of a quantitative structure-activity relationship (QSAR) is now considered as an integral part of its development. Assessment of the quality of a…”
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Qsar investigation of a large data set for fish, algae and Daphnia toxicity by Lessigiarska, I., Worth, A.P., Sokull-Klüttgen, B., Jeram, S., Dearden, J.C., Netzeva, T.I., Cronin, M.T.D.

“…A large data set containing values for fish, algae and Daphnia toxicity for more than 2000 chemicals and mixtures was investigated. The data set was taken from…”
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Partial Least Squares Modelling of the Acute Toxicity of Aliphatic Compounds to Tetrahymena pyriformis by Netzeva, T.I., Schultz, T.W., Aptula, A.O., Cronin, M.T.D.

“…The aim of this study was to evaluate a multivariate statistical model, utilising Partial Least Squares (PLS) analysis, for the prediction of the acute…”
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QSARs for toxicity to the bacterium Sinorhizobium meliloti by Lessigiarska, I., Cronin, M.T.D., Worth, A.P., Dearden, J.C., Netzeva, T.I.

“…In the present study, structure-activity relationship (QSAR) models for the prediction of the toxicity to the bacterium Sinorhizobium meliloti have been…”
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Current status of methods for defining the applicability domain of (Quantitative) structure-activity relationships : The report and recommendations of ECVAM workshop 52 by NETZEVA, Tatiana I, WORTH, Andrew P, MYATT, Glenn, NIKOLOVA-JELIAZKOVA, Nina, PATLEWICZ, Grace Y, PERKINS, Roger, ROBERTS, David W, SCHULTZ, Terry W, STANTON, David T, VAN DE SANDT, Johannes J. M, TONG, Weida, VEITH, Gilman, ALDENBERG, Tom, YANG, Chihae, BENIGNI, Romualdo, CRONIN, Mark T. D, GRAMATICA, Paola, JAWORSKA, Joanna S, KAHN, Scott, KLOPMAN, Gilles, MARCHANT, Carol A

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2D and 3D QSAR analysis of some valproic acid metabolites and analogues as anticonvulsant agents by NETZEVA, T, DOYTCHINOVA, I, NATCHEVA, R

“…To investigate the structural features, responsible for the variations in anticonvulsant activity of a series of twenty six valproic acid (VPA) metabolites and…”
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Cytotoxic Activity of Cerium Complexes with Coumarin Derivatives. Molecular Modeling of the Ligands by Manolov, Ilia, Kostova, Irena, Netzeva, Tatiana, Konstantinov, Spiro, Karaivanova, Margarita

“…Cerium complexes of Umbellipherone, Mendiaxon, Warfarin, Coumachlor, and Niffcoumar have been synthesized by reaction of the ligands with cerium nitrate in a…”
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QSARs for the aquatic toxicity of aromatic aldehydes from Tetrahymena data by Netzeva, Tatiana I., Schultz, T. Wayne

“…The aim of the study was to develop quantitative structure–activity relationships (QSARs) for a large group of 77 aromatic aldehydes tested for acute toxicity…”
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Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to Tetrahymena pyriformis by Cronin, Mark T.D, Aptula, Aynur O, Duffy, Judith C, Netzeva, Tatiana I, Rowe, Philip H, Valkova, Iva V, Wayne Schultz, T

“…Quantitative structure–activity relationships (QSARs) for the toxicity of 200 phenols to the ciliated protozoan Tetrahymena pyriformis, and the validation of…”
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Structure−Toxicity Relationships for the Effects to Tetrahymena pyriformis of Aliphatic, Carbonyl-Containing, α,β-Unsaturated Chemicals by Schultz, T. Wayne, Netzeva, Tatiana I, Roberts, David W, Cronin, Mark T. D

“…Toxicity data for 82 aliphatic chemicals with an α,β-unsaturated substructure were compiled. Toxicity was assessed in the 2-day Tetrahymena pyriformis…”
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Comparison of the applicability domain of a quantitative structure-activity relationship for estrogenicity with a large chemical inventory by Netzeva, Tatiana I., Saliner, Ana Gallegos, Worth, Andrew P.

“…The aim of the present study was to illustrate that it is possible and relatively straightforward to compare the domain of applicability of a quantitative…”
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Assessment and Modeling of the Toxicity of Organic Chemicals to Chlorella vulgaris:  Development of a Novel Database by Cronin, Mark T. D, Netzeva, Tatiana I, Dearden, John C, Edwards, Robert, Worgan, Andrew D. P

“…This study reports a database of toxicity values for 91 compounds assessed in a novel, rapid, and economical 15 min algal toxicity test. The toxicity data were…”
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