Advanced search
Publication Cover
SAR and QSAR in Environmental Research Volume 7, 1997 - Issue 1-4
Submit an article Journal homepage
107
Views
24
CrossRef citations to date
0
Altmetric
Original Articles

Prediction of Partition Coefficients (LOG Poct) Using Autocorrelation Descriptors

J. Devillers CTIS, 3 Chemin de la Gravière, 69140, Rillieux La Pape, France
,
D. Domine CTIS, 3 Chemin de la Gravière, 69140, Rillieux La Pape, France
,
C. Guillon CTIS, 3 Chemin de la Gravière, 69140, Rillieux La Pape, France
,
S. Bintein CTIS, 3 Chemin de la Gravière, 69140, Rillieux La Pape, France
&
W. Karcher EU/Joint Research Center, Environment Institute, ECB, Ispra Center, I-21020, Ispra, Varese, Italy
Pages 151-172 | Received 03 Apr 1997, Accepted 22 Jul 1997, Published online: 05 Oct 2006

Citations (24)

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 (10)

J. Devillers, P. Pandard & B. Richard. (2013) External validation of structure-biodegradation relationship (SBR) models for predicting the biodegradability of xenobiotics. SAR and QSAR in Environmental Research 24:12, pages 979-993.
Read now
J. Devillers, N. Marchand-Geneste, A. Carpy & J. M. Porcher. (2006) SAR and QSAR modeling of endocrine disruptors. SAR and QSAR in Environmental Research 17:4, pages 393-412.
Read now
J. Devillers. (2005) A new strategy for using supervised artificial neural networks in QSAR. SAR and QSAR in Environmental Research 16:5, pages 433-442.
Read now
M. Guyot, J.C. Doré & J. Devillers. (2004) Typology of secondary cyanobacterial metabolites from minimum spanning tree analysis. SAR and QSAR in Environmental Research 15:2, pages 101-114.
Read now
J. Devillers, A. Chezeau, E. Thybaud & R. Rahmani. (2002) QSAR modeling of the adult and developmental toxicity of glycols, glycol ethers and xylenes to hydra attenuata. SAR and QSAR in Environmental Research 13:5, pages 555-566.
Read now
J. Devillers. (2000) Nonlinear Modeling of the Percutaneous Absorption of Polycyclic Aromatic Hydrocarbons. Polycyclic Aromatic Compounds 18:2, pages 231-241.
Read now
V.K. Gombar. (1999) Reliable Assessment of Log P of Compounds of Pharmaceutical Relevance. SAR and QSAR in Environmental Research 10:4, pages 371-380.
Read now
J. Devillers. (1999) Calculation of Octanol/Water Partition Coefficients for Pesticides: A Comparative Study. SAR and QSAR in Environmental Research 10:2-3, pages 249-262.
Read now
J. Devillers & D. Domine. (1999) A Noncongeneric Model for Predicting Toxicity of Organic Molecules to Vibrio Fischeri . SAR and QSAR in Environmental Research 10:1, pages 61-70.
Read now
J. Devillers & D. Domine. (1997) Comparison of Reliability of log P Values Calculated from a Group Contribution Approach and from the Autocorrelation Method. SAR and QSAR in Environmental Research 7:1-4, pages 195-232.
Read now

Articles from other publishers (14)

Daqing Liu, Chenglian Feng, Yu Qiao, Jindong Wang, Yingchen Bai & Fengchang Wu. (2023) Predicting the acute toxicity of organophosphate esters (OPEs) to aquatic organisms by modelling the structure-toxicity relationships using partial least square regression. Science of The Total Environment 903, pages 166708.
Crossref
Waldemar Studziński, Maciej Przybyłek & Alicja Gackowska. (2023) Application of gas chromatographic data and 2D molecular descriptors for accurate global mobility potential prediction. Environmental Pollution 317, pages 120816.
Crossref
Muhammad Tanveer Hussain, Muhammad Javaid, Sajida Parveen, Hafiz Muhammad Awais & Md Nur Alam. (2022) Studies of Metal Organic Networks via M-Polynomial-Based Topological Indices. Journal of Mathematics 2022, pages 1-16.
Crossref
Hafiza Bushra Mumtaz, Muhammad Javaid, Hafiz Muhammad Awais & Ebenezer Bonyah. (2021) Topological Indices of Pent-Heptagonal Nanosheets via M-Polynomials. Journal of Mathematics 2021, pages 1-13.
Crossref
Agha Kashif, Sumaira Aftab, Muhammad Javaid & Hafiz Muhammad Awais. (2021) M-polynomial-based topological indices of metal-organic networks. Main Group Metal Chemistry 44:1, pages 129-140.
Crossref
Hafiz Muhammad Awais, Muhammad Jamal & Muhammad Javaid. (2020) Topological properties of metal-organic frameworks. Main Group Metal Chemistry 43:1, pages 67-76.
Crossref
Debby D. Wang, Le Ou-Yang, Haoran Xie, Mengxu Zhu & Hong Yan. (2020) Predicting the impacts of mutations on protein-ligand binding affinity based on molecular dynamics simulations and machine learning methods. Computational and Structural Biotechnology Journal 18, pages 439-454.
Crossref
Aditya Nandy, Chenru Duan, Jon Paul Janet, Stefan Gugler & Heather J. Kulik. (2018) Strategies and Software for Machine Learning Accelerated Discovery in Transition Metal Chemistry. Industrial & Engineering Chemistry Research 57:42, pages 13973-13986.
Crossref
Jon Paul Janet & Heather J. Kulik. (2017) Resolving Transition Metal Chemical Space: Feature Selection for Machine Learning and Structure–Property Relationships. The Journal of Physical Chemistry A 121:46, pages 8939-8954.
Crossref
M. Javaid, Jia-Bao Liu, M. A. Rehman & Shaohui Wang. (2017) On the Certain Topological Indices of Titania Nanotube TiO 2 [ m , n ] . Zeitschrift für Naturforschung A 72:7, pages 647-654.
Crossref
Brian J. Neely, Sundararajan V. Madihally, Robert L. RobinsonJr.Jr. & Khaled A.M. Gasem. (2009) Nonlinear Quantitative Structure-Property Relationship Modeling of Skin Permeation Coefficient. Journal of Pharmaceutical Sciences 98:11, pages 4069-4084.
Crossref
James Devillers. 2009. Ecotoxicology Modeling. Ecotoxicology Modeling 1 28 .
Igor V. Tetko & Tudor I. Oprea. 2008. Chemoinformatics Approaches to Virtual Screening. Chemoinformatics Approaches to Virtual Screening 240 267 .
I.V. Tetko & D.J. Livingstone. 2007. Comprehensive Medicinal Chemistry II. Comprehensive Medicinal Chemistry II 649 668 .

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.