Advanced search
Publication Cover
SAR and QSAR in Environmental Research Volume 18, 2007 - Issue 3-4
Submit an article Journal homepage
74
Views
15
CrossRef citations to date
0
Altmetric
Original Articles

Application and comparison of different chemometric approaches in QSPR modelling of supercooled liquid vapour pressures for chloronaphthalenesFootnote†

T. Puzyn Faculty of Chemistry, Department of Environmental Chemistry and Ecotoxicology, University of Gdańsk, Sobieskiego 18, 80-952 Gdańsk, Poland
&
J. Falandysz Faculty of Chemistry, Department of Environmental Chemistry and Ecotoxicology, University of Gdańsk, Sobieskiego 18, 80-952 Gdańsk, PolandCorrespondence[email protected]
Pages 299-313 | Received 11 May 2006, Accepted 30 Sep 2006, Published online: 04 Dec 2010

Citations (15)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Read on this site (5)

J.J. Villaverde, B. Sevilla-Morán, C. López-Goti, J.L. Alonso-Prados & P. Sandín-España. (2020) QSAR/QSPR models based on quantum chemistry for risk assessment of pesticides according to current European legislation. SAR and QSAR in Environmental Research 31:1, pages 49-72.
Read now
AgataJ. Wilczyńska-Piliszek, Sławomir Piliszek & Jerzy Falandysz. (2012) QSPR for prediction of subcooled vapor pressures (log PL) of polychlorinated trans-azobenzenes. Journal of Environmental Science and Health, Part B 47:7, pages 660-669.
Read now
AgataJ. Wilczyńska-piliszek, Sławomir Piliszek & Jerzy Falandysz. (2012) Estimation of KOA values of 209 polychlorinated trans-azobenzenes by PM6 and DFT methods. Journal of Environmental Science and Health, Part B 47:6, pages 562-570.
Read now
Sławomir Piliszek, AgataJ. Wilczyńska-piliszek & Jerzy Falandysz. (2012) The aqueous solubility of some herbicidal by-side toxic impurities: Predicted data of the 399 chlorinated trans-azoxybenzene congeners. Journal of Environmental Science and Health, Part B 47:4, pages 275-287.
Read now
AgataJ. Wilczyńska-Piliszek, Sławomir Piliszek & Jerzy Falandysz. (2012) QSAR and ANN for the estimation of water solubility of 209 polychlorinated trans-azobenzenes. Journal of Environmental Science and Health, Part A 47:2, pages 155-166.
Read now

Articles from other publishers (10)

Selvaraj Sengottiyan, Alicja Mikolajczyk, Karolina Jagiełło, Marta Swirog & Tomasz Puzyn. (2023) Core, Coating, or Corona? The Importance of Considering Protein Coronas in nano-QSPR Modeling of Zeta Potential. ACS Nano 17:3, pages 1989-1997.
Crossref
Hidetoshi Kuramochi & Zhenyi Zhang. (2018) Physicochemical Properties of POPs and their Environmental Partitioning CharacteristicsPOPs の物理化学特性と環境分配特性. Material Cycles and Waste Management Research 29:6, pages 433-441.
Crossref
Qingqi Die, Zhiqiang Nie, Bo Yue, Xuemei Zhu, Xingbao Gao, Jianyuan Wang, Yufei Yang, Yanyan Fang & Qifei Huang. (2017) Assessment of the temporal and spatial distribution of atmospheric PCNs and their air–soil exchange using passive air samplers in Shanghai, East China. Environmental Science and Pollution Research 24:16, pages 14365-14375.
Crossref
D. Bielińska-Wąż, P. Wąż, K. Jagiełło & T. Puzyn. (2013) Spectral density distribution moments as novel descriptors for QSAR/QSPR. Structural Chemistry 25:1, pages 29-35.
Crossref
Vikas & Chayawan. (2014) Externally predictive quantitative modeling of supercooled liquid vapor pressure of polychlorinated-naphthalenes through electron-correlation based quantum–mechanical descriptors. Chemosphere 95, pages 448-454.
Crossref
T. Puzyn, M. Haranczyk, N. Suzuki & T. Sakurai. (2010) Estimating persistence of brominated and chlorinated organic pollutants in air, water, soil, and sediments with the QSPR-based classification scheme. Molecular Diversity 15:1, pages 173-188.
Crossref
Tomasz Puzyn, Danuta Leszczynska & Jerzy Leszczynski. (2009) Toward the Development of âNano-QSARsâ: Advances and Challenges. Small 5:22, pages 2494-2509.
Crossref
Tomasz Puzyn, Aleksandra Mostrąg, Noriyuki Suzuki & Jerzy Falandysz. (2008) QSPR-based estimation of the atmospheric persistence for chloronaphthalene congeners. Atmospheric Environment 42:27, pages 6627-6636.
Crossref
Maciej Haranczyk, Tomasz Puzyn & Paweł Sadowski. (2008) ConGENER – A Tool for Modeling of the Congeneric Sets of Environmental Pollutants. QSAR & Combinatorial Science 27:7, pages 826-833.
Crossref
Tomasz Puzyn, Noriyuki Suzuki, Maciej Haranczyk & Janusz Rak. (2008) Calculation of Quantum-Mechanical Descriptors for QSPR at the DFT Level: Is It Necessary?. Journal of Chemical Information and Modeling 48:6, pages 1174-1180.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.