Books & Articles

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2017

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)

2016

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)

2014

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)