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Emilio Benfenati

Istituto di Ricerche Farmacologiche Mario NegriIN
ORCID0000-0002-3976-5989
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65

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Citations
20,130

via OpenAlex

Publications
51

About

Emilio Benfenati is a researcher at Istituto di Ricerche Farmacologiche Mario Negri. He has a long-standing focus on QSAR modeling and ecotoxicology, with over 50 publications spanning four decades from 1970 to 2020. His work explores the prediction of chemical toxicity to various organisms and ecosystems, including aquatic solubility, genotoxicity, and carcinogenicity.

Research areas

  • Quantitative structure–activity relationship
  • Chemistry
  • Computer science
  • Biology
  • Organic chemistry

Publications (51)

Sorted by most cited.

  1. Consensus QSAR modeling of toxicity of pharmaceuticals to different aquatic organisms: Ranking and prioritization of the DrugBank database compounds

    Ecotoxicology and Environmental Safety1970journal article

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    135 cites

  2. Ecotoxicological QSAR modeling of organic compounds against fish: Application of fragment based descriptors in feature analysis

    Aquatic Toxicology1970journal article

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    63 cites

  3. First report on a classification-based QSAR model for chemical toxicity to earthworm

    Journal of Hazardous Materials1970journal article

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    44 cites

  4. Chemometric modeling to predict air half-life of persistent organic pollutants (POPs)

    Journal of Hazardous Materials1970journal article

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    28 cites

  5. First report on chemometric modeling of hydrolysis half-lives of organic chemicals

    2020

    View DOI
    9 cites

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

    SAR and QSAR in Environmental Research1970journal article

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    0 cites

  7. Exploring QSAR modeling of toxicity of chemicals on earthworm

    Ecotoxicology and Environmental Safety1970journal article

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    0 cites

  8. New in silico models to predict in vitro micronucleus induction as marker of genotoxicity

    Journal of Hazardous Materials1970journal article

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    0 cites

  9. Predicting acute contact toxicity of organic binary mixtures in honey bees (A. mellifera) through innovative QSAR models

    Science of the Total Environment1970journal article

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    0 cites

  10. Use of the index of ideality of correlation to improve aquatic solubility model

    Journal of Molecular Graphics and Modelling1970journal article

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    0 cites

  11. CORAL: Building up QSAR models for the chromosome aberration test

    Saudi Journal of Biological Sciences1970journal article

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    0 cites

  12. Chemometric modeling of Daphnia magna toxicity of agrochemicals

    Chemosphere1970journal article

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    0 cites

  13. Corrigendum to “QSAR modeling of Daphnia magna and fish toxicities of biocides using 2D descriptors” (Chemosphere (2019) 229 (8–17), (S0045653519308677), (10.1016/j.chemosphere.2019.04.204))

    Chemosphere1970journal article

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    0 cites

  14. Corrigendum to “The application of new HARD-descriptor available from the CORAL software to building up NOAEL models” [Food Chem. Toxicol. 112 (2018) 544–550](S0278691517301631)(10.1016/j.fct.2017.03.060)

    Food and Chemical Toxicology1970journal article

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    0 cites

  15. Could deep learning in neural networks improve the QSAR models?

    SAR and QSAR in Environmental Research1970journal article

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    0 cites

  16. Development, validation and integration of in silico models to identify androgen active chemicals

    Chemosphere1970journal article

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    0 cites

  17. Ecotoxicological QSAR modeling of endocrine disruptor chemicals

    Journal of Hazardous Materials1970journal article

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    0 cites

  18. Ensemble-based modeling of chemical compounds with antimalarial activity

    Current Topics in Medicinal Chemistry1970journal article

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    0 cites

  19. Guidance on harmonised methodologies for human health, animal health and ecological risk assessment of combined exposure to multiple chemicals

    EFSA Journal1970journal article

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    0 cites

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

    SAR and QSAR in Environmental Research1970journal article

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    0 cites

  21. Impact of REACH legislation on the production and importation of CMR (carcinogen, mutagen and reproductive) and explosive chemicals in Italy from 2011 to 2015

    Regulatory Toxicology and Pharmacology1970journal article

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    0 cites

  22. Improvement of quantitative structure-activity relationship (QSAR) tools for predicting Ames mutagenicity: Outcomes of the Ames/QSAR International Challenge Project

    Mutagenesis1970journal article

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    0 cites

  23. In silico model for mutagenicity (Ames test), taking into account metabolism

    Mutagenesis1970journal article

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    0 cites

  24. Integrating QSAR, Read-Across, and Screening Tools: The VEGAHUB Platform as an Example

    Challenges and Advances in Computational Chemistry and Physics1970book

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    0 cites

  25. Integrating in silico models and read-across methods for predicting toxicity of chemicals: A step-wise strategy

    Environment International1970journal article

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    0 cites

  26. Integrating in silico models for the prediction of mutagenicity (Ames test) of botanical ingredients of cosmetics

    Computational Toxicology1970journal article

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    0 cites

  27. Investigating combined toxicity of binary mixtures in bees: Meta-analysis of laboratory tests, modelling, mechanistic basis and implications for risk assessment

    Environment International1970journal article

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    0 cites

  28. Investigating landfill leachate toxicity in vitro: A review of cell models and endpoints

    Environment International1970journal article

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    0 cites

  29. On the uses of predictive toxicology to approve the use of engineered nanomaterials as biocidal active substances under the Biocidal Products Regulation

    IOP Conference Series: Materials Science and Engineering1970conference paper

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    0 cites

  30. Phytotoxicity of wear debris from traditional and innovative brake pads

    Environment International1970journal article

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    0 cites

  31. QSAR Development for Plasma Protein Binding: Influence of the Ionization State

    Pharmaceutical Research1970journal article

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    0 cites

  32. QSAR modeling of Daphnia magna and fish toxicities of biocides using 2D descriptors

    Chemosphere1970journal article

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    0 cites

  33. QSPR as a random event: solubility of fullerenes C[60] and C[70]

    Fullerenes Nanotubes and Carbon Nanostructures1970journal article

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    0 cites

  34. Semi-correlations as a tool to build up categorical (active/inactive) model of GABA <inf>A</inf> receptor modulator activity

    Structural Chemistry1970journal article

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    0 cites

  35. The index of ideality of correlation: QSAR model of acute toxicity for zebrafish (Danio rerio) embryo

    International Journal of Environmental Research1970journal article

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    0 cites

  36. The index of ideality of correlation: models for flammability of binary liquid mixtures

    Chemical Papers1970journal article

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    0 cites

  37. Virtual screening of anti-cancer compounds: Application of monte carlo technique

    Anti-Cancer Agents in Medicinal Chemistry1970journal article

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    0 cites

  38. (Eco)toxicological maps: A new risk assessment method integrating traditional and in silico tools and its application in the Ledra River (Italy)

    Environment International1970journal article

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    0 cites

  39. A large comparison of integrated SAR/QSAR models of the Ames test for mutagenicity<sup>$</sup>

    SAR and QSAR in Environmental Research1970journal article

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    0 cites

  40. A new semi-automated workflow for chemical data retrieval and quality checking for modeling applications

    Journal of Cheminformatics1970journal article

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    0 cites

  41. CORAL: Predictive models for cytotoxicity of functionalized nanozeolites based on quasi-SMILES

    Chemosphere1970journal article

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    0 cites

  42. Classification of a Naïve Bayesian Fingerprint model to predict reproductive toxicity<sup>$</sup>

    SAR and QSAR in Environmental Research1970journal article

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    0 cites

  43. Computational Toxicology and Reach

    Computational Toxicology: Risk Assessment for Chemicals1970book

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    0 cites

  44. Criteria and application on the use of nontesting methods within a weight of evidence strategy

    Methods in Molecular Biology1970book

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    0 cites

  45. Genotoxicity induced by metal oxide nanoparticles: a weight of evidence study and effect of particle surface and electronic properties

    Nanotoxicology1970journal article

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    0 cites

  46. Integrated strategy for mutagenicity prediction applied to food contact chemicals

    ALTEX1970journal article

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  47. Mutagenicity, anticancer activity and blood brain barrier: similarity and dissimilarity of molecular alerts

    Toxicology Mechanisms and Methods1970journal article

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    0 cites

  48. Performance of in silico models for mutagenicity prediction of food contact materials

    Toxicological Sciences1970journal article

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  49. Perspectives from the NanoSafety Modelling Cluster on the validation criteria for (Q)SAR models used in nanotechnology

    Food and Chemical Toxicology1970journal article

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  50. Prediction of antimicrobial activity of large pool of peptides using quasi-SMILES

    BioSystems1970journal article

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    0 cites

  51. Prediction of biochemical endpoints by the coral software: Prejudices, paradoxes, and Results

    Methods in Molecular Biology1970book

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    0 cites