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Chemistry

D-Index
46
Citations
9723
World Ranking
15889
National Ranking
589

Overview

Andrey A. Toropov is affiliated with the Mario Negri Institute for Pharmacological Research in Italy. Their research spans several fields with a primary focus on computer science and chemistry. Toropov has contributed extensively to computational theory and mathematics, especially in relation to materials chemistry, organic chemistry, molecular biology, and toxicology.

The main areas of study cover computational drug discovery methods, environmental toxicology and ecotoxicology, free radicals and antioxidants, pesticide residue analysis and safety, machine learning in materials science, chemistry and chemical engineering, and analytical chemistry and chromatography.

Toropov's frequent co-authors include Alla P. Toropova, Emilio Benfenati, Alessandra Roncaglioni, Jerzy Leszczyński, and Danuta Leszczyńska.

Key publication venues where Toropov has published multiple works include:

  • SAR and QSAR in environmental research
  • Structural Chemistry
  • Toxics
  • The Science of The Total Environment
  • Toxicology Mechanisms and Methods

Among recent papers authored or co-authored by Toropov are:

  • "QSPR/QSAR: State-of-Art, Weirdness, the Future" (2020) in Molecules
  • "Correlation intensity index: Building up models for mutagenicity of silver nanoparticles" (2020) in The Science of The Total Environment

Toropov also contributed to book publications, including "QSPR/QSAR Analysis Using SMILES and Quasi-SMILES" (2023), published by Springer Nature in the Netherlands.

Best Publications

  • Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles

    Tomasz Puzyn;Bakhtiyor Rasulev;Agnieszka Gajewicz;Agnieszka Gajewicz;Xiaoke Hu

  • QSAR as a random event: modeling of nanoparticles uptake in PaCa2 cancer cells.

    Andrey A. Toropov;Alla P. Toropova;Tomasz Puzyn;Emilio Benfenati

  • The index of ideality of correlation: A criterion of predictive potential of QSPR/QSAR models?

    Andrey A. Toropov;Alla P. Toropova

  • In silico methods to predict drug toxicity.

    Alessandra Roncaglioni;Andrey A Toropov;Alla P Toropova;Emilio Benfenati

  • Novel application of the CORAL software to model cytotoxicity of metal oxide nanoparticles to bacteria Escherichia coli.

    Andrey A. Toropov;Alla P. Toropova;Emilio Benfenati;Giuseppina Gini

  • CORAL: quantitative structure-activity relationship models for estimating toxicity of organic compounds in rats.

    Alla P. Toropova;Andrey A. Toropov;Emilio Benfenati;Giuseppina C. Gini

  • The index of ideality of correlation: A criterion of predictability of QSAR models for skin permeability?

    Alla P. Toropova;Andrey A. Toropov

  • Optimal descriptor as a translator of eclectic data into prediction of cytotoxicity for metal oxide nanoparticles under different conditions.

    Alla P. Toropova;Andrey A. Toropov;Robert Rallo;Danuta Leszczynska

  • Comprehension of drug toxicity: Software and databases

    Andrey A. Toropov;Alla P. Toropova;Ivan Raska;Danuta Leszczynska

  • CORAL software: Prediction of carcinogenicity of drugs by means of the Monte Carlo method

    Alla P. Toropova;Andrey A. Toropov

  • QSPR/QSAR: State-of-Art, Weirdness, the Future

    Andrey A Toropov;Alla P Toropova

  • Index of Ideality of Correlation: new possibilities to validate QSAR: a case study

    Andrey A. Toropov;Ramon Carbó-Dorca;Alla P. Toropova

  • Quasi-QSAR for mutagenic potential of multi-walled carbon-nanotubes

    Andrey A. Toropov;Alla P. Toropova

  • QSAR models for predicting acute toxicity of pesticides in rainbow trout using the CORAL software and EFSA's OpenFoodTox database.

    Andrey A. Toropov;Alla P. Toropova;Marco Marzo;Jean Lou Dorne

  • Prediction of heteroaromatic amine mutagenicity by means of correlation weighting of atomic orbital graphs of local invariants

    A.A. Toropov;A.P. Toropova

  • Brief communication: Predicting water solubility and octanol water partition coefficient for carbon nanotubes based on the chiral vector

    Andrey A. Toropov;Danuta Leszczynska;Jerzy Leszczynski

  • Quasi-SMILES and nano-QFAR: united model for mutagenicity of fullerene and MWCNT under different conditions.

    Andrey A. Toropov;Alla P. Toropova

  • QSAR models for HEPT derivates as NNRTI inhibitors based on Monte Carlo method

    Alla P. Toropova;Andrey A. Toropov;Jovana B. Veselinović;Filip N. Miljković

  • CORAL: Building up the model for bioconcentration factor and defining it’s applicability domain

    A.A. Toropov;A.P. Toropova;A. Lombardo;A. Roncaglioni

  • Comparison of SMILES and molecular graphs as the representation of the molecular structure for QSAR analysis for mutagenic potential of polyaromatic amines

    A.A. Toropov;A.P. Toropova;S.E. Martyanov;E. Benfenati

  • SMILES in QSPR/QSAR Modeling: results and perspectives.

    Andrey A Toropov;Emilio Benfenati

  • CORAL: QSAR modeling of toxicity of organic chemicals towards Daphnia magna

    A.P. Toropova;A.A. Toropov;S.E. Martyanov;E. Benfenati

  • SMILES as an alternative to the graph in QSAR modelling of bee toxicity

    Andrey A. Toropov;Emilio Benfenati

  • Simplified molecular input line entry system (SMILES) as an alternative for constructing quantitative structure-property relationships (QSPR)

    Andrey A. Toropov;Alla P. Toropova;Dilya V. Mukhamedzhanova;Ivan Gutman

Frequent Co-Authors

Jerzy Leszczynski
Jerzy Leszczynski Jackson State University
Giuseppina Gini
Giuseppina Gini Polytechnic University of Milan
Ivan Raška
Ivan Raška Charles University
Mario Salmona
Mario Salmona Mario Negri Institute for Pharmacological Research
Ivan Gutman
Ivan Gutman University of Kragujevac
Kunal Roy
Kunal Roy Jadavpur University
Roberto Fanelli
Roberto Fanelli Mario Negri Institute for Pharmacological Research
Boris Furtula
Boris Furtula University of Kragujevac
Angelo Carotti
Angelo Carotti University of Bari Aldo Moro
Ettore Zuccato
Ettore Zuccato Mario Negri Institute for Pharmacological Research

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