PMID- 14602110
OWN - NLM
STAT- MEDLINE
DCOM- 20040206
LR  - 20031106
IS  - 0045-6535 (Print)
IS  - 0045-6535 (Linking)
VI  - 54
IP  - 6
DP  - 2004 Feb
TI  - Fuzzy QSARs for predicting logKoc of persistent organic pollutants.
PG  - 771-6
AB  - Fuzzy regression methodology has been employed in this study to develop a 
      relationship for logKoc for persistent organic pollutants (POPs) using other 
      property and molecular descriptors. Fuzzy regression is distinct from statistical 
      regression and is used to characterize the imprecision arising from limited data 
      and/or incomplete model descriptions. The study is based on the premise that 
      statistically based QSARs do not fully account for all the sorbate-sorbent 
      interactions pertinent to the partitioning of POPs and as such these 
      relationships have inherent fuzziness associated with them. A comparison between 
      the statistical and fuzzy logKow-logKoc relationship indicated that the fuzzy 
      regression model enveloped all scatter in the data and provided a tighter fit 
      around the mid-point values (least-square estimates). In addition, fuzzy 
      regression was also employed to characterize imprecision associated with a three 
      parameter QSAR that employs molecular connectivity indicies. A comparison between 
      fuzzy and statistical regression analysis indicated that the fuzziness in this 
      model was primarily associated with characterization of local (atomic) scale 
      interactions while statistical randomness manifested at both local and global 
      (molecular) scales. Experimental and estimation artifacts appear to have a higher 
      impact on statistical regression than fuzzy regression. However, the superiority 
      of the fuzzy regression seems to diminish with increasing correlation between the 
      inputs and the output variable.
FAU - Uddameri, Venkatesh
AU  - Uddameri V
AD  - Department of Environmental Engineering, MSC 213 Texas A&M University, 
      Kingsville, Kingsville, TX 78363-8202, USA. vuddameri@tamuk.edu
FAU - Kuchanur, Muthukumar
AU  - Kuchanur M
LA  - eng
PT  - Journal Article
PL  - England
TA  - Chemosphere
JT  - Chemosphere
JID - 0320657
RN  - 0 (Environmental Pollutants)
RN  - 0 (Organic Chemicals)
SB  - IM
MH  - Environmental Pollutants/*analysis
MH  - Environmental Pollution/*analysis/statistics & numerical data
MH  - Forecasting
MH  - Fuzzy Logic
MH  - Organic Chemicals/*analysis
MH  - Quantitative Structure-Activity Relationship
EDAT- 2003/11/07 05:00
MHDA- 2004/02/10 05:00
CRDT- 2003/11/07 05:00
PHST- 2003/11/07 05:00 [pubmed]
PHST- 2004/02/10 05:00 [medline]
PHST- 2003/11/07 05:00 [entrez]
AID - S0045-6535(03)00830-0 [pii]
AID - 10.1016/j.chemosphere.2003.08.023 [doi]
PST - ppublish
SO  - Chemosphere. 2004 Feb;54(6):771-6. doi: 10.1016/j.chemosphere.2003.08.023.