Andrey A. Toropov

About

Andrey A. Toropov (PhD) has been working in Istituto di Ricerche Farmacologiche Mario Negri Milano, Italy. The optimal (flexible) descriptors are his main scientific interest. He is developer of recent version of the optimal descriptors named as collectors of eclectic data for a QSPR/QSAR predictions. This paradigm is especially appropriate for the cases of complex molecular systems such as nanomaterials and proteins. He had done contribution for the development of the CORAL freeware (http://www.insilico.eu/coral). He had published of about 400 papers in international journals on the QSPR/QSAR analysis: physicochemical properties, toxicity, cancirogenicity, anticancer agents, anti-HIV-1 agents, QSPR/QSAR analysis for nanomaterials. He was participant of the following EC projects: DEMETRA, CHEMPREDICT, PROSIL, ORCHESTRA, ANTARES, OSIRIS, NanoBRIDGES, PreNanoTox, NanoPUZZLES etc. He is participant in work of Editorial Boards of scientific journals (as a reviewer). He has been visiting scientist in Jackson State University (USA, Mississippi), in 2006-2007.

Employment

• Istituto di Ricerche Farmacologiche Mario Negri 2009-up to present invited scientist in Istituto di Ricerche Farmacologiche Mario Negri IRCCS
  2009 - Present

Education

Education history is unavailable.

Projects & Funding

• LIFE-CONCERT contract (LIFE17 GIE/IT/000461) LIFE-CONCERT contract (LIFE17 GIE/IT/000461)
• LIFE-VERMEER contract (LIFE16 ENV/IT/000167) LIFE-VERMEER contract (LIFE16 ENV/IT/000167)

Publications (590)

• QSAR Models for Non-Effective Levels of Chemical Substances Using the CORAL Software
  Environments 2026 DOI: 10.3390/environments13100554
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• QSAR Models for Sweetness: Can They Shape the Future of Nutritional Safety?
  Alla P. Toropova, Andrey Andreevich Toropov, Ivan Raška +2 more
  Foods 2026 DOI: 10.3390/foods15091481
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• QSAR Models for Repeated Dose Toxicity in Rats Using the CORAL Software
  Toxics 2026 DOI: 10.3390/toxics14040338
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• QSPR models for water solubility of organic compounds using correlation intensity index and Las Vegas algorithm
  SAR and QSAR in Environmental Research 2026 DOI: 10.1080/1062936X.2026.2659325
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• Simulation of the Impact of Pesticides on Pollinators Under Different Conditions Using Correlation Weighting of Quasi-SMILES Components Together with the Index of Ideality of Correlation (IIC)
  Journal of Xenobiotics 2026 DOI: 10.3390/jox16010010
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• Simulation peptide toxicity using the fragments of local symmetry in amino acid sequences
  BioSystems 2025 DOI: 10.1016/j.biosystems.2025.105554
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• Simulation of Fish Acute Toxicity of Pharmaceuticals Using Simplified Molecular Input Line Entry System (SMILES) Notation as a Representation of Molecular Structure
  International Journal of Molecular Sciences 2025 DOI: 10.3390/ijms26199348
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• New QSPR/QSAR Models for Organic and Inorganic Compounds: Similarity and Dissimilarity
  Inorganics 2025 DOI: 10.3390/inorganics13070226
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• In Silico Models of Biological Activities of Peptides Using the Coefficient of Conformism of a Correlative Prediction and the Las Vegas Algorithm
  Macromol 2025 DOI: 10.3390/macromol5020027
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• Monte Carlo Simulation of Pesticide Toxicity for Rainbow Trout (Oncorhynchus mykiss) Using New Criteria of Predictive Potential
  Journal of Xenobiotics 2025 DOI: 10.3390/jox15030082
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• Using the Coefficient of Conformism of a Correlative Prediction in Simulation of Cardiotoxicity
  Toxics 2025 DOI: 10.3390/toxics13040309
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• Semi-Correlations for the Simulation of Dermal Toxicity
  Toxics 2025 DOI: 10.3390/toxics13040235
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• Monte Carlo Simulation of Aromatic Molecule Adsorption on Multi-Walled Carbon Nanotube Surfaces Using Coefficient of Conformism of a Correlative Prediction (CCCP)
  C 2025 DOI: 10.3390/c11010007
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• Application of monomer structures and fragments of local symmetry for simulation of glass transition temperatures of polymers
  SAR and QSAR in Environmental Research 2025 DOI: 10.1080/1062936X.2025.2453868
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• In Silico Simulation of Daphnia magna Immobilization Exposed to Mixtures of TiO2 Nanoparticles with Inorganic Compounds
  Journal of Composites Science 2025 DOI: 10.3390/jcs9010016
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• Novel two variable-QSPR analysis for authentication and typification of vegetable oils
  Journal of Molecular Graphics and Modelling 2025 DOI: 10.1016/j.jmgm.2025.109126
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• Quantitative Structure–Property Relationships (QSPR) for Materials Science
  Challenges and Advances in Computational Chemistry and Physics 2025 DOI: 10.1007/978-3-031-78736-2_4
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• Quantitative structure-property relationship for gas-chromatographic retention indices of volatile organic compounds in colored-quinoa seeds
  Journal of Food Composition and Analysis 2025 DOI: 10.1016/j.jfca.2024.106843
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• Simulation of the Long-Term Toxicity Towards Bobwhite Quail (Colinus virginianus) by the Monte Carlo Method
  Journal of Xenobiotics 2024 DOI: 10.3390/jox15010003
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• Does the accounting of the local symmetry fragments in quasi-SMILES improve the predictive potential of the QSAR models of toxicity toward tadpoles?
  Toxicology Mechanisms and Methods 2024 DOI: 10.1080/15376516.2024.2332617
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