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1

Handbook of Computational Chemistry || Predictive QSAR Modeling: Methods and Applications in Drug Discovery and Chemical Risk Assessment

Leszczynski, Jerzy, Kaczmarek-Kedziera, Anna, Puzyn, Tomasz, G. Papadopoulos, Manthos, Reis, Heribert, K. Shukla, Manoj

Year:

2017

Language:

english

File:

PDF, 936 KB

english, 2017

2

Characterization and influence of hydroxyapatite nanopowders on living cells

Oberbek, Przemyslaw, Bolek, Tomasz, Chlanda, Adrian, Hirano, Seishiro, Kusnieruk, Sylwia, Rogowska-Tylman, Julia, Nechyporenko, Ganna, Zinchenko, Viktor, Swieszkowski, Wojciech, Puzyn, Tomasz

Journal:

Beilstein Journal of Nanotechnology

Year:

2018

Language:

english

File:

PDF, 3.31 MB

english, 2018

3

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

Puzyn, Tomasz, Rasulev, Bakhtiyor, Gajewicz, Agnieszka, Hu, Xiaoke, Dasari, Thabitha P., Michalkova, Andrea, Hwang, Huey-Min, Toropov, Andrey, Leszczynska, Danuta, Leszczynski, Jerzy

Journal:

Nature Nanotechnology

Year:

2011

Language:

english

File:

PDF, 305 KB

english, 2011

4

Application of Two-Way Hierarchical Cluster Analysis for the Identification of Similarities between the Individual Lipid Fractions of Lucilia sericata

Gołębiowski, Marek, Sosnowska, Anita, Puzyn, Tomasz, Boguś, Mieczysława I., Wieloch, Wioletta, Włóka, Emilia, Stepnowski, Piotr

Journal:

Chemistry & Biodiversity

Year:

2014

Language:

english

File:

PDF, 468 KB

english, 2014

5

Handbook of Computational Chemistry || Structures and Stability of Fullerenes, Metallofullerenes, and Their Derivatives

Leszczynski, Jerzy, Kaczmarek-Kedziera, Anna, Puzyn, Tomasz, G. Papadopoulos, Manthos, Reis, Heribert, K. Shukla, Manoj

Year:

2017

Language:

english

File:

PDF, 1.95 MB

english, 2017

6

Handbook of Computational Chemistry || Molecular Mechanics: Principles, History, and Current Status

Leszczynski, Jerzy, Kaczmarek-Kedziera, Anna, Puzyn, Tomasz, G. Papadopoulos, Manthos, Reis, Heribert, K. Shukla, Manoj

Year:

2017

Language:

english

File:

PDF, 494 KB

english, 2017

7

Recent Advances in QSAR Studies || Chemometric Methods and Theoretical Molecular Descriptors in Predictive QSAR Modeling of the Environmental Behavior of Organic Pollutants

Puzyn, Tomasz, Leszczynski, Jerzy, Cronin, Mark T.

Year:

2010

Language:

english

File:

PDF, 1.04 MB

english, 2010

8

Towards designing environmentally safe ionic liquids: the influence of the cation structure

Sosnowska, Anita, Barycki, Maciej, Zaborowska, Monika, Rybinska, Anna, Puzyn, Tomasz

Journal:

Green Chemistry

Year:

2014

Language:

english

File:

PDF, 1.82 MB

english, 2014

9

Nano(Q)SAR: Challenges, pitfalls and perspectives

Tantra, Ratna, Oksel, Ceyda, Puzyn, Tomasz, Wang, Jian, Robinson, Kenneth N., Wang, Xue Z., Ma, Cai Y., Wilkins, Terry

Journal:

Year:

2014

Language:

english

File:

PDF, 189 KB

english, 2014

10

QSPR Modeling of Partition Coefficients and Henry’s Law Constants for 75 Chloronaphthalene Congeners by Means of Six Chemometric Approaches—A Comparative Study

Puzyn, Tomasz, Falandysz, Jerzy

Journal:

Journal of Physical and Chemical Reference Data

Year:

2007

Language:

english

File:

PDF, 245 KB

english, 2007

11

Polychlorinated biphenyls (PCBs) and their congener-specific accumulation in edible fish from the Gulf of Gdańsk, Baltic Sea

Falandysz, J., Wyrzykowska, B., Puzyn, T., Strandberg, L., Rappe, C.

Journal:

Food Additives & Contaminants

Year:

2002

Language:

english

File:

PDF, 461 KB

english, 2002

12

“NanoBRIDGES” software: Open access tools to perform QSAR and nano-QSAR modeling

Ambure, Pravin, Aher, Rahul Balasaheb, Gajewicz, Agnieszka, Puzyn, Tomasz, Roy, Kunal

Journal:

Chemometrics and Intelligent Laboratory Systems

Year:

2015

Language:

english

File:

PDF, 1.07 MB

english, 2015

13

Causation or only correlation? Application of causal inference graphs for evaluating causality in nano-QSAR models

Sizochenko, Nataliia, Gajewicz, Agnieszka, Leszczynski, Jerzy, Puzyn, Tomasz

Journal:

Year:

2016

Language:

english

File:

PDF, 826 KB

english, 2016

14

Handbook of Computational Chemistry || Low-Energy Electron (LEE)-Induced DNA Damage: Theoretical Approaches to Modeling Experiment

Leszczynski, Jerzy, Kaczmarek-Kedziera, Anna, Puzyn, Tomasz, G. Papadopoulos, Manthos, Reis, Heribert, K. Shukla, Manoj

Year:

2017

Language:

english

File:

PDF, 2.08 MB

english, 2017

15

Handbook of Computational Chemistry || Two Photon Absorption in Biological Molecules

Leszczynski, Jerzy, Kaczmarek-Kedziera, Anna, Puzyn, Tomasz, G. Papadopoulos, Manthos, Reis, Heribert, K. Shukla, Manoj

Year:

2017

Language:

english

File:

PDF, 353 KB

english, 2017

16

Handbook of Computational Chemistry || Prioritization of Chemicals Based on Chemoinformatic Analysis

Leszczynski, Jerzy, Kaczmarek-Kedziera, Anna, Puzyn, Tomasz, G. Papadopoulos, Manthos, Reis, Heribert, K. Shukla, Manoj

Year:

2017

Language:

english

File:

PDF, 1.10 MB

english, 2017

17

Handbook of Computational Chemistry || Open Source Chemoinformatics Software including KNIME Analytics

Leszczynski, Jerzy, Kaczmarek-Kedziera, Anna, Puzyn, Tomasz, G. Papadopoulos, Manthos, Reis, Heribert, K. Shukla, Manoj

Year:

2017

Language:

english

File:

PDF, 1.18 MB

english, 2017

18

Handbook of Computational Chemistry || Introduction to Response Theory

Leszczynski, Jerzy, Kaczmarek-Kedziera, Anna, Puzyn, Tomasz, G. Papadopoulos, Manthos, Reis, Heribert, K. Shukla, Manoj

Year:

2017

Language:

english

File:

PDF, 337 KB

english, 2017

19

Handbook of Computational Chemistry || Predicting ADME Properties of Chemicals

Leszczynski, Jerzy, Kaczmarek-Kedziera, Anna, Puzyn, Tomasz, G. Papadopoulos, Manthos, Reis, Heribert, K. Shukla, Manoj

Year:

2017

Language:

english

File:

PDF, 755 KB

english, 2017

20

Nano-QSAR modeling for ecosafe design of second generation TiO 2 -based nano-photocatalysts

Mikolajczyk, Alicja, Gajewicz, Agnieszka, Mulkiewicz, Ewa, Rasulev, Bakhtiyor, Marchelek, Martyna, Diak, Magdalena, Hirano, Seishiro, Zaleska-Medynska, Adriana, Puzyn, Tomasz

Journal:

Environmental Science: Nano

Year:

2018

Language:

english

File:

PDF, 1.32 MB

english, 2018

21

Prediction of dielectric constant of ionic liquids

Rybińska-Fryca, Anna, Sosnowska, Anita, Puzyn, Tomasz

Journal:

Journal of Molecular Liquids

Year:

2018

Language:

english

File:

PDF, 4.37 MB

english, 2018

22

Chemometric outlook on correlations between retention parameters of polar and semipolar HPLC columns and physicochemical characteristics of ampholytic substances of biological and pharmaceutical relevance

Judycka, Urszula, Jagiello, Karolina, Gromelski, Maciej, Bober, Leszek, Błażejowski, Jerzy, Puzyn, Tomasz

Journal:

Structural Chemistry

Year:

2018

Language:

english

File:

PDF, 742 KB

english, 2018

23

Experimental and computational study of Tm-doped TiO2: the effect of Li+ on Vis-response photocatalysis and luminescence

Mazierski, Paweł, Arellano Caicedo, Pablo Nicolás, Grzyb, Tomasz, Mikolajczyk, Alicja, Roy, Juganta K., Wyrzykowska, Ewelina, Wei, Zhishun, Kowalska, Ewa, Puzyn, Tomasz, Zaleska-Medynska, Adriana, Nad

Journal:

Applied Catalysis B: Environmental

Year:

2019

Language:

english

File:

PDF, 2.69 MB

english, 2019

24

How thermal stability of ionic liquids leads to more efficient TiO2-based nanophotocatalysts: Theoretical and experimental studies

RybiÅska-Fryca, Anna, Mikolajczyk, Alicja, Åuczak, Justyna, Paszkiewicz-Gawron, Marta, Paszkiewicz, Monika, Zaleska-Medynska, Adriana, Puzyn, Tomasz

Journal:

Journal of Colloid and Interface Science

Year:

2020

File:

PDF, 1.65 MB

2020

25

Predicting water solubility of congeners: Chloronaphthalenes—A case study

Tomasz Puzyn, Aleksandra Mostrąg, Jerzy Falandysz, Yana Kholod, Jerzy Leszczynski

Journal:

Journal of Hazardous Materials

Year:

2009

Language:

english

File:

PDF, 517 KB

english, 2009

26

ConGENER – A Tool for Modeling of the Congeneric Sets of Environmental Pollutants

Maciej Haranczyk, Tomasz Puzyn, Paweł Sadowski

Journal:

Molecular Informatics

Year:

2008

Language:

english

File:

PDF, 382 KB

english, 2008

27

Toward the Development of “Nano-QSARs”: Advances and Challenges

Tomasz Puzyn, Danuta Leszczynska, Jerzy Leszczynski

Journal:

Year:

2009

Language:

english

File:

PDF, 864 KB

english, 2009

28

Estimating persistence of brominated and chlorinated organic pollutants in air, water, soil, and sediments with the QSPR-based classification scheme

T. Puzyn, M. Haranczyk, N. Suzuki, T. Sakurai

Journal:

Molecular Diversity

Year:

2011

Language:

english

File:

PDF, 519 KB

english, 2011

29

Investigating the influence of data splitting on the predictive ability of QSAR/QSPR models

Tomasz Puzyn, Aleksandra Mostrag-Szlichtyng, Agnieszka Gajewicz, Michał Skrzyński, Andrew P. Worth

Journal:

Structural Chemistry

Year:

2011

Language:

english

File:

PDF, 215 KB

english, 2011

30

Global versus local QSPR models for persistent organic pollutants: balancing between predictivity and economy

Tomasz Puzyn, Agnieszka Gajewicz, Aleksandra Rybacka, Maciej Haranczyk

Journal:

Structural Chemistry

Year:

2011

Language:

english

File:

PDF, 473 KB

english, 2011

31

Modeling the overall persistence and environmental mobility of sulfur-containing polychlorinated organic compounds

Aleksandra Mostrąg, Tomasz Puzyn, Maciej Haranczyk

Journal:

Environmental Science and Pollution Research

Year:

2010

Language:

english

File:

PDF, 207 KB

english, 2010

32

Calculation of Quantum-Mechanical Descriptors for QSPR at the DFT Level: Is It Necessary?

Puzyn, Tomasz, Suzuki, Noriyuki, Haranczyk, Maciej, Rak, Janusz

Journal:

Journal of Chemical Information and Modeling

Year:

2008

Language:

english

File:

PDF, 410 KB

english, 2008

33

Inflow of polonium, uranium and plutonium radionuclides in Odra River catchment area assessment by environmetric expertise

Bogdan Skwarzec, Krzysztof Kabat, Tomasz Puzyn, Aleksander Astel

Journal:

Journal of Radioanalytical and Nuclear Chemistry

Year:

2012

Language:

english

File:

PDF, 490 KB

english, 2012

34

Computational estimation of logarithm of n-octanol/air partition coefficient and subcooled vapor pressures of 75 chloronaphthalene congeners

Tomasz Puzyn, Jerzy Falandysz

Journal:

Atmospheric Environment

Year:

2005

Language:

english

File:

PDF, 229 KB

english, 2005

35

QSPR-based estimation of the atmospheric persistence for chloronaphthalene congeners

Tomasz Puzyn, Aleksandra Mostrąg, Noriyuki Suzuki, Jerzy Falandysz

Journal:

Atmospheric Environment

Year:

2008

Language:

english

File:

PDF, 755 KB

english, 2008

36

Predicting logarithmic values of the subcooled liquid vapor pressure of halogenated persistent organic pollutants with QSPR: How different are chlorinated and brominated congeners?

Agnieszka Gajewicz, Maciej Haranczyk, Tomasz Puzyn

Journal:

Atmospheric Environment

Year:

2010

Language:

english

File:

PDF, 589 KB

english, 2010

37

On enumeration of congeners of common persistent organic pollutants

Maciej Haranczyk, Tomasz Puzyn, Esmond G. Ng

Journal:

Environmental Pollution

Year:

2010

Language:

english

File:

PDF, 123 KB

english, 2010

38

On the replacement of empirical parameters in multimedia mass balance models with QSPR data

Journal:

Journal of Hazardous Materials

Year:

2011

Language:

english

File:

PDF, 753 KB

english, 2011

39

Recent Advances in QSAR Studies Volume c || In Silico Approaches for Predicting Adme Properties

Puzyn, Tomasz, Leszczynski, Jerzy, Cronin, Mark T.

Year:

2010

Language:

english

File:

PDF, 664 KB

english, 2010

40

Recent Advances in QSAR Studies Volume 1075 || Molecular Descriptors

Puzyn, Tomasz, Leszczynski, Jerzy, Cronin, Mark T.

Year:

2010

Language:

english

File:

PDF, 1.41 MB

english, 2010

41

Recent Advances in QSAR Studies Volume 7439 || The Role of Qsar Methodology in the Regulatory Assessment of Chemicals

Puzyn, Tomasz, Leszczynski, Jerzy, Cronin, Mark T.

Year:

2010

Language:

english

File:

PDF, 623 KB

english, 2010

42

Combinatorial × Computational × Cheminformatics (C 3 ) Approach to Characterization of Congeneric Libraries of Organic Pollutants

Haranczyk, Maciej, Urbaszek, Piotr, Ng, Esmond G., Puzyn, Tomasz

Journal:

Journal of Chemical Information and Modeling

Year:

2012

Language:

english

File:

PDF, 1.53 MB

english, 2012

43

Prediction of environmental partition coefficients and the Henry’s law constants for 135 congeners of chlorodibenzothiophene

Tomasz Puzyn, Paweł Rostkowski, Artur Świeczkowski, Aneta Jędrusiak, Jerzy Falandysz

Journal:

Year:

2006

Language:

english

File:

PDF, 213 KB

english, 2006

44

Recent Advances in QSAR Studies || QSAR in Chromatography: Quantitative Structure–Retention Relationships (QSRRs)

Puzyn, Tomasz, Leszczynski, Jerzy, Cronin, Mark T.

Year:

2010

Language:

english

File:

PDF, 1.07 MB

english, 2010

45

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, Tomasz Puzyn, Danuta Leszczynska, Jerzy Leszczynski

Journal:

Year:

2012

Language:

english

File:

PDF, 402 KB

english, 2012

46

Advancing risk assessment of engineered nanomaterials: Application of computational approaches

Agnieszka Gajewicz, Bakhtiyor Rasulev, Tandabany C. Dinadayalane, Piotr Urbaszek, Tomasz Puzyn, Danuta Leszczynska, Jerzy Leszczynski

Journal:

Advanced Drug Delivery Reviews

Year:

2012

Language:

english

File:

PDF, 5.09 MB

english, 2012

47

Recent Advances in QSAR Studies || The Use of Qsar and Computational Methods in Drug Design

Puzyn, Tomasz, Leszczynski, Jerzy, Cronin, Mark T.

Year:

2010

Language:

english

File:

PDF, 740 KB

english, 2010

48

Multivariate analysis of the bioaccumulation of polychlorinated biphenyls (PCBs) in the marine pelagic food web from the southern part of the Baltic Sea, Poland

Falandysz, Jerzy, Wyrzykowska, Barbara, Strandberg, Lidia, Puzyn, Tomasz, Strandberg, Bo, Rappe, Christoffer

Journal:

Journal of Environmental Monitoring

Year:

2002

Language:

english

File:

PDF, 271 KB

english, 2002

49

QSAR as a random event: Modeling of nanoparticles uptake in PaCa2 cancer cells

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

Journal:

Year:

2013

Language:

english

File:

PDF, 1.03 MB

english, 2013

50

Mercury Content and Its Bioconcentration Factors in Wild Mushrooms at Łukta and Mora̧g, Northeastern Poland

Falandysz, Jerzy, Lipka, Krzysztof, Kawano, Masahide, Brzostowski, Andrzej, Dadej, Monika, Jȩdrusiak, Aneta, Puzyn, Tomasz

Journal:

Journal of Agricultural and Food Chemistry

Year:

2003

Language:

english

File:

PDF, 121 KB

english, 2003

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