QSAR of carcinogenicity and mutagenicity using codes of cycles in optimal SMILES-based descriptors
A. Chana, A.A. Toropov, A.P. Toropova, E. Benfenati
QSAR models for organometallic compounds and salts
A.A. Toropov, A.P. Toropova, E. Benfenati
The InChI-based optimal descriptors: QSAR modeling of toxicity of organometallic compounds
A.A. Toropov, A.P. Toropova, E. Benfenati
Assessing the environmental and health risks of incinerators
Erica: a new index to compare and evaluate the overall impact
E. Boriani, A. Mariani, D. Baderna, C. Moretti, E. Benfenati, A. Boxall
PCDD/F levels in ambient air in the proximity of a municipal solid waste incinerator
A. Colombo, E. Benfenati, M. Lodi, R. Fanelli
Assessment of QSAR models for fish toxicity based on mode of action
E. Benfenati, A. Roncaglioni, A. Lombardo
QSAR modelling of mutagenicity: the applicability domain definition and the estimation of predictive ability
A.A. Toropov, A.P. Toropova, E. Benfenati
QSAR model of toxicity towards E. coli bacteria for nanosized oxides by SMILES - based optimal descriptors
A.A. Toropov, A.P. Toropova, X-K. Hu, H-M. Hwang, B.F. Rasulev, T. Puzyn, E. Benfenati, D. Leszczynska, J. Leszczynski
Uncertainty as a parameter to compare and integrate data of heterogeneous sources
E. Benfenati, E. Boriani, T. Vermeire, T. Aldemberg, A. Fernandez, A. Manganaro
Optimisation of aquatic acute toxicity testing for regulatory purposes
Hrovat M., Lombardo A., Jeram S.
Carcinogenicity QSARs models using non-cogeneric chemicals for regulatory purposes.
N. Fjodorova, M. Novich, M. Vrachko, M. Tushar
13th International Workshop on QSARs in the Environmental Sciences, June 2008, Syracuse - New York, USA
A Comparison of Linear and Non-linear QSAR Modelling to Predict Toxicity of Phenols to Tetrahymena pyriformis
S. J. Enoch, T. W. Schultz, J. C. Madden and M. T. D. Cronin
International Conference on Analysis of Emerging Contaminants in the Environment, March 2007, York, UK
Investigation of the Applicability Domain of QSARs to Predict the Ecotoxicity of Pharmaceuticals
J. C. Madden, M. Hewitt, S. Enoch, Y. Koleva and M. T. D. Cronin
EuroQSAR 2008 - 17
th European Symposium on QSAR in "omics" and Systems biology, 21-26 September 2008, Uppsala, Sweden
A Comparison of the Michael-Type Mechanism for Mutagenicity and Skin Sensitisation
S. J. Enoch, Y. Koleva, M. Hewitt, J. C. Madden, M. T. D. Cronin
SCARLET - Worskshop on carcinogenicity, 2-4 April 2008, Milan, Italy
Identification of Reactive Compounds from Structure-Based Methods
S. J. Enoch, D. W. Roberts, J. C. Madden and M. T. D. Cronin
SETAC Europe 17th Annual Meeting, 20-24 May 2007, Porto, Portugal
Testing the Verhaar Rules for Classifying Compounds According to Toxic Mode of Action
M. Hewitt, S. Azam, M. T. D. Cronin, and S. J. Enoch
SETAC Europe 17th Annual Meeting, 20-24 May 2007, Porto, Portugal
Strategies for Intelligent Toxicity Testing: Integration of In Silico and Chemical Reactivity Information
J. C. Madden, S. J. Enoch, Y. K. Koleva and M. T. D. Cronin
The British Toxicological Society -
BTS Autumn Meeting 2008, 8-9 September 2008 Liverpool, UK
QSAR modelling of biological activity by descriptors calculated with
Simplified Molecular Input Line Entry
System (SMILES)
A. Chana, A.A. Toropov, A.P. Toropova, E. Benfenati, X.-K. Hu, H.-M. Hwang,
B.F. Rasulev, T. Puzyn, J. Leszczynski
EPAA Annual Conference "Research into alternative approaches (3Rs) in regulatory testing: Are we on the right track?", 3 November 2008, Bruxelles, Belgium
QSAR modelling of carcinogenicity based on local attributes of SMILES and special
codes of cycles (global SMILES attributes
A. Chana, A.A. Toropov, A.P. Toropova, E. Benfenati
1st SETAC Europe Special Science Symposium - "Integrated Testing Strategies for REACH: From science to practical implementation", 23-24 October 2008, Bruxelles, Belgium
Evaluation of a new QSAR model for bioconcentration factor in fish (BCF)
E. Benfenati, E. Boriani, A. Roncaglioni, A. Lombardo
1st SETAC Europe Special Science Symposium - "Integrated Testing Strategies for REACH: From science to practical implementation", 23-24 October 2008, Bruxelles, Belgium
QSAR models for bioconcentration and fish toxicity for regulatory purposes
E. Benfenati, A. Lombardo, A. Roncaglioni, E. Boriani
EPAA Annual Conference "Research into alternative approaches (3Rs) in regulatory testing: Are we on the right track?", 3 November 2008, Bruxelles, Belgium
A hybrid cost-optimized QSAR model for reproductive toxicity
F. Lemke, A. Roncaglioni, E. Benfenati
1st SETAC Europe Special Science Symposium - "Integrated Testing Strategies for REACH: From science to practical implementation", 23-24 October 2008, Bruxelles, Belgium
Coupling carcinogenicity with mutagenicity models to improve its predictive power
R. Gonella Diaza, C. Porcelli, A. Roncaglioni, N. Piclin, M. Pintore, J. Chrètien, E. Benfenati
SCARLET
- Worskshop on carcinogenicity, 2-4 April 2008, Milan, Italy
A combined QSAR model for mutagenicity
T. Ferrari, G. Gini, A. Roncaglioni, E. Benfenati
1st SETAC Europe Special Science Symposium - "Integrated Testing Strategies for REACH: From science to practical implementation", 23-24 October 2008, Bruxelles, Belgium
QSAR models for regulatory purposes from the experience of European Projects
E. Benfenati, E. Boriani, A. Chana, C. Porcelli, A. Roncaglioni
SETAC Europe 17th Annual Meeting, 20-24 May 2007, Porto, Portugal
The treatment of chemicals from dataset of rodent carcinogenicity as a first step in qsar modelling
N. Fjodorova, M. Novic, M. Vracko
15th International Symposium "Spectroscopy in Theory and Practice", 18-21 April 2007, Nova Gorica, Slovenia
QSAR modelling of carcinogenicity for regulatory use in Europe
N. Fjodorova, M. Novic, M. Vracko
4th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources, 1-5 September 2007, Moscow, Russia
Does Increasing the Complexity of a QSAR Really Improve the Model?
S. J. Enoch, M. T. D. Cronin, T. W. Schultz, J. C. Madden
Presented at SETAC Europe 17th Annual Meeting, 20-24 May 2007, Porto, Portugal
Consensus QSAR Models for Environmental Toxicity and Fate Endpoints: Praises and Pitfalls
M. Hewitt, S. J. Enoch, C. L. Johnson, J. C. Madden, A. E. Obi, P. H. Rowe, V. J. Woodall, M. T. D. Cronin
POSTER presented at SETAC-UK 2006 Annual Meeting, Liverpool Hope University, 4-5 September 2006, Liverpool, UK