Emilio Benfenati
Affiliations: | Istituto di Ricerche Farmacologiche Mario Negri IRCCS |
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Gadaleta D, Garcia de Lomana M, Serrano-Candelas E, et al. (2024) Quantitative structure-activity relationships of chemical bioactivity toward proteins associated with molecular initiating events of organ-specific toxicity. Journal of Cheminformatics. 16: 122 |
Banerjee A, Kar S, Roy K, et al. (2024) Molecular similarity in chemical informatics and predictive toxicity modeling: from quantitative read-across (q-RA) to quantitative read-across structure-activity relationship (q-RASAR) with the application of machine learning. Critical Reviews in Toxicology. 1-26 |
Toropova AP, Toropov AA, Roncaglioni A, et al. (2023) The enhancement scheme for the predictive ability of QSAR: A case of mutagenicity. Toxicology in Vitro : An International Journal Published in Association With Bibra. 91: 105629 |
Khan K, Kumar V, Colombo E, et al. (2022) Intelligent consensus predictions of bioconcentration factor of pharmaceuticals using 2D and fragment-based descriptors. Environment International. 170: 107625 |
Roncaglioni A, Lombardo A, Benfenati E. (2022) The VEGAHUB Platform: The Philosophy and the Tools. Alternatives to Laboratory Animals : Atla. 2611929221090530 |
Toropov AA, Di Nicola MR, Toropova AP, et al. (2022) A regression-based QSAR-model to predict acute toxicity of aromatic chemicals in tadpoles of the Japanese brown frog (Rana japonica): Calibration, validation, and future developments to support risk assessment of chemicals in amphibians. The Science of the Total Environment. 830: 154795 |
Gadaleta D, Spînu N, Roncaglioni A, et al. (2022) Prediction of the Neurotoxic Potential of Chemicals Based on Modelling of Molecular Initiating Events Upstream of the Adverse Outcome Pathways of (Developmental) Neurotoxicity. International Journal of Molecular Sciences. 23 |
Marzo M, Roncaglioni A, Kulkarni S, et al. (2022) In Silico Models for Developmental Toxicity. Methods in Molecular Biology (Clifton, N.J.). 2425: 217-240 |
Golbamaki A, Benfenati E, Roncaglioni A. (2022) In Silico Methods for Carcinogenicity Assessment. Methods in Molecular Biology (Clifton, N.J.). 2425: 201-215 |
Kar S, Sanderson H, Roy K, et al. (2021) Green Chemistry in the Synthesis of Pharmaceuticals. Chemical Reviews |