380
E. Benfenati et al.
21. Golbamaki Bakhtyari A et al (2016) New clues on carcinogenicity-related substructures derived
from mining two large datasets of chemical compounds. J Environ Sci Health C Environ
Carcinog Ecotoxicol Rev 34:97–113
22. Manganaro A et al (2016) Predicting persistence in the sediment compartment with a
new automatic software based on the k-Nearest Neighbor (k-NN) algorithm. Chemosphere
144:1624–1630
23. Gissi A et al (2015) Evaluation and comparison of benchmark QSAR models to predict a
relevant REACH endpoint: the bioconcentration factor (BCF). Environ Res 137:398–409
24. Cassano A et al (2014) Evaluation of QSAR models for the prediction of Ames genotoxicity: a
retrospective exercise on the chemical substances registered under the EU REACH regulation.
J Environ Sci Health Part C: Environ Carcinogenesis Ecotox Rev 32:273–298
25. Golbamaki Bakhtyari N et al (2013) Comparison of in silico models for prediction of mutagenicity. J Environ Sci Health C Environ Carcinog Ecotoxicol Rev 31:45–66
26. Benfenati E et al (2016) Results of a round-robin exercise on read-across. SAR QSAR Environ
Res 27:371–384
27. Papa E et al (2010) QSPR as a support for the EU REACH regulation and rational design of
environmentally safer chemicals: PBT identification from molecular structure. Green Chem
12:836–843
Emilio Benfenati is head of the Laboratory of Environmental Chemistry and Toxicology at the
Mario Negri Institute, Milan, Italy, since 1997. Previously he has been researcher at Stanford University, California, USA (in that period he also had a collaborative research at the Berkeley University, California, USA). He coordinates/coordinated 20 European projects and participated to
about 50 projects in total, many of them on toxicity and environmental modeling. His research
activities include: toxicity and environmental modelling, molecular descriptors, QSARs, toxicity
prediction, characterization and assessment of contaminants, and risk assessment. He is the main
developer of VEGA, ToxRead, and other in silico platforms. He is author or co-author of 350
papers in international journals and edited a few books. He organized some conferences, including
SETAC 2011 and QSAR 2014.
Alessandra Roncaglioni is currently Head of the Research Unit on Computational Toxicology
at the Mario Negri Institute for Pharmacological Research, Milan, Italy. She graduated in environmental science and got a Ph.D. in Life and Biomolecular Science. Her research interests are
related to the use of computational chemistry methods applied to environmental and health issues,
in particular in silico approaches (such as QSAR) and their use in the regulatory framework. She
is co-author of nearly 50 papers in peer-reviewed journal and about 30 communications in international conferences.
Anna Lombardo with a degree in Environmental Science, has worked at the Istituto di Ricerche
Farmacologiche Mario Negri IRFMN since March 2008. She specialized in biomedical research in
2011. She has worked in computational toxicology and in particular on the development and managing of datasets, developing and use of QSAR model especially for ecotoxicological and environmental endpoints (i.e., aquatic toxicity, bioconcentration, persistence). She has worked on the
development of Integrated Testing Strategies, for aquatic toxicity and bioaccumulation, to satisfy
REACH requirements. She is author of more than 30 papers published on international journals,
posters, and public presentations.
E. Benfenati et al.
21. Golbamaki Bakhtyari A et al (2016) New clues on carcinogenicity-related substructures derived
from mining two large datasets of chemical compounds. J Environ Sci Health C Environ
Carcinog Ecotoxicol Rev 34:97–113
22. Manganaro A et al (2016) Predicting persistence in the sediment compartment with a
new automatic software based on the k-Nearest Neighbor (k-NN) algorithm. Chemosphere
144:1624–1630
23. Gissi A et al (2015) Evaluation and comparison of benchmark QSAR models to predict a
relevant REACH endpoint: the bioconcentration factor (BCF). Environ Res 137:398–409
24. Cassano A et al (2014) Evaluation of QSAR models for the prediction of Ames genotoxicity: a
retrospective exercise on the chemical substances registered under the EU REACH regulation.
J Environ Sci Health Part C: Environ Carcinogenesis Ecotox Rev 32:273–298
25. Golbamaki Bakhtyari N et al (2013) Comparison of in silico models for prediction of mutagenicity. J Environ Sci Health C Environ Carcinog Ecotoxicol Rev 31:45–66
26. Benfenati E et al (2016) Results of a round-robin exercise on read-across. SAR QSAR Environ
Res 27:371–384
27. Papa E et al (2010) QSPR as a support for the EU REACH regulation and rational design of
environmentally safer chemicals: PBT identification from molecular structure. Green Chem
12:836–843
Emilio Benfenati is head of the Laboratory of Environmental Chemistry and Toxicology at the
Mario Negri Institute, Milan, Italy, since 1997. Previously he has been researcher at Stanford University, California, USA (in that period he also had a collaborative research at the Berkeley University, California, USA). He coordinates/coordinated 20 European projects and participated to
about 50 projects in total, many of them on toxicity and environmental modeling. His research
activities include: toxicity and environmental modelling, molecular descriptors, QSARs, toxicity
prediction, characterization and assessment of contaminants, and risk assessment. He is the main
developer of VEGA, ToxRead, and other in silico platforms. He is author or co-author of 350
papers in international journals and edited a few books. He organized some conferences, including
SETAC 2011 and QSAR 2014.
Alessandra Roncaglioni is currently Head of the Research Unit on Computational Toxicology
at the Mario Negri Institute for Pharmacological Research, Milan, Italy. She graduated in environmental science and got a Ph.D. in Life and Biomolecular Science. Her research interests are
related to the use of computational chemistry methods applied to environmental and health issues,
in particular in silico approaches (such as QSAR) and their use in the regulatory framework. She
is co-author of nearly 50 papers in peer-reviewed journal and about 30 communications in international conferences.
Anna Lombardo with a degree in Environmental Science, has worked at the Istituto di Ricerche
Farmacologiche Mario Negri IRFMN since March 2008. She specialized in biomedical research in
2011. She has worked in computational toxicology and in particular on the development and managing of datasets, developing and use of QSAR model especially for ecotoxicological and environmental endpoints (i.e., aquatic toxicity, bioconcentration, persistence). She has worked on the
development of Integrated Testing Strategies, for aquatic toxicity and bioaccumulation, to satisfy
REACH requirements. She is author of more than 30 papers published on international journals,
posters, and public presentations.