VERMEER FCM: A tool integrating exposure and hazard modelling for chemicals migrating from food contact materials

Authors: Van Overmeire, I., Selvestrel, G., Ciffroy, P., Manganaro, A., Alfonso, B., Streel, C., Benfenati, E., Manganelli, S., Van Hoeck, E., Mertens, B.

Source: In Food and Chemical Toxicology November 2024 193

Quasi-SMILES: Self-consistent models for toxicity of organic chemicals to tadpoles

Authors: Toropov, A.A. ^a, Di Nicola, M.R. ^b, Toropova, A.P. ^{a, ∗}, Roncaglioni, A. ^a, Dorne, J.L.C.M. ^c, Benfenati, E. ^a

Source: In Chemosphere January 2023 312 Part 1

Carcinogenicity prediction using the index of ideality of correlation

Authors: Toropova, A.P., Toropov, A.A., Viganò, E.L., Colombo, E., Roncaglioni, A., Benfenati, E.

Source: SAR and QSAR in environmental research. 33(6):419-428

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100153588870.0x000001&indx=1&recIds=ETOCvdc_100153588870.0x000001

Monte Carlo technique to study the adsorption affinity of azo dyes by applying new statistical criteria of the predictive potential

Authors: Toropova, A.P., Toropov, A.A., Roncaglioni, A., Benfenati, E.

Source: SAR and QSAR in environmental research. 33(8):621-630

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100159707886.0x000001&indx=1&recIds=ETOCvdc_100159707886.0x000001

Modeling the migration of chemicals from food contact materials to food: The MERLIN-expo/VERMEER toolbox

Authors: Ciffroy, P., Mertens, B., Van Hoeck, E., Van Overmeire, I., Johansson, E., Alfonso, B., Baderna, D., Selvestrel, G., Benfenati, E.

Source: In Food and Chemical Toxicology August 2022 166

EFSA’s OpenFoodTox: An open source toxicological database on chemicals in food and feed and its future developments

Authors: Dorne, J.L.C.M., Richardson, J., Livaniou, A., Carnesecchi, E., Ceriani, L., Baldin, R., Kovarich, S., Pavan, M., Saouter, E., Biganzoli, F., Pasinato, L., Zare Jeddi, M., Robinson, T.P., Kass, G.E.N., Liem, A.K.D., Toropov, A.A., Toropova, A.P., Yang, C., Tarkhov, A., Georgiadis, N., Di Nicola, M.R., Mostrag, A., Verhagen, H., Roncaglioni, A., Benfenati, E., Bassan, A.

Source: In Environment International January 2021 146

Integrating rules and neural nets for carcinogenicity prediction

Authors: Gini, G., Lorenzini, M., Benfenati, E., Brambilla, R., Malve, L.

Source: Proceedings Joint 9th IFSA World Congress and 20th NAFIPS International Conference (Cat. No. 01TH8569) Fuzzy systems and fuzzy information processing IFSA World Congress and 20th NAFIPS International Conference, 2001. Joint 9th. :3003-3008 vol.5 2001

Relation: Proceedings Joint 9th IFSA World Congress and 20th NAFIPS International Conference

The Monte Carlo method to build up models of the hydrolysis half-lives of organic compounds

Authors: Toropov, A.A., Toropova, A.P., Lombardo, A., Roncaglioni, A., Lavado, G.J., Benfenati, E.

Source: SAR and QSAR in environmental research. 32(6):463-471

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100121414708.0x000001&indx=1&recIds=ETOCvdc_100121414708.0x000001

Clustering and classification techniques to assess aquatic toxicity

Authors: Gini, G., Benfenati, E., Boley, D.

Source: KES'2000. Fourth International Conference on Knowledge-Based Intelligent Engineering Systems and Allied Technologies. Proceedings (Cat. No.00TH8516) Knowledge-based intelligent engineering systems and allied technologies Knowledge-Based Intelligent Engineering Systems and Allied Technologies, 2000. Proceedings. Fourth International Conference on. 1:166-172 vol.1 2000

Relation: Fourth International Conference on Knowledge-Based Intelligent Engineering Systems and Allied Technologies/ Proceedings. KES'2000

Prediction of No Observed Adverse Effect Concentration for inhalation toxicity using Monte Carlo approach

Authors: Toropov, A.A., Toropova, A.P., Selvestrel, G., Baderna, D., Benfenati, E.

Source: SAR and QSAR in environmental research. 31(12):1-12

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100130230002.0x000001&indx=1&recIds=ETOCvdc_100130230002.0x000001

Modelling quantitative structure activity–activity relationships (QSAARs): auto-pass-pass, a new approach to fill data gaps in environmental risk assessment under the REACH regulation

Authors: Bouhedjar, K., Benfenati, E., Nacereddine, A. K.

Source: SAR and QSAR in environmental research. 31(10):785-801

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100119370114.0x000001&indx=1&recIds=ETOCvdc_100119370114.0x000001

QSAR models for biocides: The example of the prediction of Daphnia magna acute toxicity

Authors: Marzo, M., Lavado, G.J., Como, F., Toropova, A.P., Toropov, A.A., Baderna, D., Cappelli, C., Lombardo, A., Toma, C., Blázquez, M., Benfenati, E.

Source: SAR and QSAR in environmental research. 31(3):227-243

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100112923127.0x000001&indx=1&recIds=ETOCvdc_100112923127.0x000001

Evaluation of non-commercial models for genotoxicity and carcinogenicity in the assessment of EFSA's databases

Authors: Carnesecchi, E., Raitano, G., Gamba, A., Benfenati, E., Roncaglioni, A.

Source: SAR and QSAR in environmental research. 31(1):33-48

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100093293613.0x000001&indx=1&recIds=ETOCvdc_100093293613.0x000001

Idealization of correlations between optimal simplified molecular input-line entry system-based descriptors and skin sensitization

Authors: Toropov, A.A., Toropova, A.P., Selvestrel, G., Benfenati, E.

Source: SAR and QSAR in environmental research. 30(6):447-455

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100088906208.0x000001&indx=1&recIds=ETOCvdc_100088906208.0x000001

Could deep learning in neural networks improve the QSAR models?

Authors: Gini, G., Zanoli, F., Gamba, A., Raitano, G., Benfenati, E.

Source: SAR and QSAR in environmental research. 30(9):617-642

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100087783889.0x000001&indx=1&recIds=ETOCvdc_100087783889.0x000001

Predicting acute contact toxicity of pesticides in honeybees (Apis mellifera) through a k-nearest neighbor model

Authors: Como, F., Carnesecchi, E., Volani, S., Dorne, J.L., Richardson, J., Bassan, A., Pavan, M., Benfenati, E.

Source: In Chemosphere January 2017 166:438-444

A large comparison of integrated SAR/QSAR models of the Ames test for mutagenicity$

Authors: Benfenati, E., Golbamaki, A., Raitano, G., Roncaglioni, A., Manganelli, S., Lemke, F., Norinder, U., Lo Piparo, Elena, Honma, M., Manganaro, A., Gini, G.

Source: SAR and QSAR in environmental research. 29(8):591-611

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100066061890.0x000001&indx=1&recIds=ETOCvdc_100066061890.0x000001

Classification of a Naïve Bayesian Fingerprint model to predict reproductive toxicity$

Authors: Marzo, M., Benfenati, E.

Source: SAR and QSAR in environmental research. 29(8):631-645

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100066061891.0x000001&indx=1&recIds=ETOCvdc_100066061891.0x000001

CORAL: Prediction of binding affinity and efficacy of thyroid hormone receptor ligands

Authors: Toropova, A.P., Toropov, A.A., Benfenati, E.

Source: In European Journal of Medicinal Chemistry 28 August 2015 101:452-461

VOC exposures in California early childhood education environments

Authors: Hoang, T., Castorina, R., Gaspar, F., Maddalena, R., Jenkins, P. L., Zhang, Q., McKone, T. E., Benfenati, E., Shi, A. Y., Bradman, A.

Source: INDOOR AIR -COPENHAGEN-. 27(3):609-621

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN384228821&indx=1&recIds=ETOCRN384228821