Books & Articles

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Natalia Sizochenko, Danuta Leszczynska, Jerzy Leszczynski

Modeling of Interactions between the Zebrafish Hatching Enzyme ZHE1 and A Series of Metal Oxide Nanoparticles: Nano-QSAR and Causal Analysis of Inactivation Mechanisms (Journal Article)

Nanomaterials, 7 (10), pp. 330, 2017, ISSN: 2079-4991.

(Links | BibTeX | Tags: causality, liquid drop model, Metal oxide nanoparticles, molecular descriptors, QSAR, regression tree, Toxicity, zebrafish)

A. Gooch, N. Sizochenko, L. Sviatenko, L. Gorb, J. Leszczynski

A quantum chemical based toxicity study of estimated reduction potential and hydrophobicity in series of nitroaromatic compounds (Journal Article)

SAR and QSAR in Environmental Research, 28 (2), pp. 133–150, 2017, ISSN: 1029046X.

(Abstract | Links | BibTeX | Tags: hydrophobicity, LUMO energy, nitroaromatic, QSAR, reduction potential, Toxicity)


Supratik Kar, Rudra Narayan Das, Kunal Roy, Jerzy Leszczynski

Can Toxicity for Different Species be Correlated? (Journal Article)

International Journal of Quantitative Structure-Property Relationships, 1 (2), pp. 23–51, 2016, ISSN: 2379-7487.

(Abstract | Links | BibTeX | Tags: Extrapolation, i-QSTR, Interspecies Correlation, Mode of Action, QSAR, REACH, Toxicity, US EPA)


Andrey A. Toropov, Alla P. Toropova, Ivan Raska, Danuta Leszczynska, Jerzy Leszczynski

Comprehension of drug toxicity: Software and databases (Journal Article)

Computers in Biology and Medicine, 45 (1), pp. 20–25, 2014, ISSN: 00104825.

(Abstract | Links | BibTeX | Tags: Computational toxicology, Drug toxicity, In silico methods, In silico toxicology, QSAR)

Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Tomasz Puzyn, Danuta Leszczynska, Jerzy Leszczynski

Optimal descriptor as a translator of eclectic information into the prediction of membrane damage: The case of a group of ZnO and TiO2 nanoparticles (Journal Article)

Ecotoxicology and Environmental Safety, 108 , pp. 203–209, 2014, ISSN: 10902414.

(Abstract | Links | BibTeX | Tags: Membrane damage, Monte Carlo method, Nanoparticle, QFAR, QSAR)