PMID- 19209628
OWN - NLM
STAT- MEDLINE
DCOM- 20090319
LR  - 20190911
IS  - 1001-0742 (Print)
IS  - 1001-0742 (Linking)
VI  - 20
IP  - 12
DP  - 2008
TI  - 3D-QSAR study on atmospheric half-lives of POPs using CoMFA and CoMSIA.
PG  - 1433-8
AB  - 3D-QSAR studies of persistent organic pollutants (POPs) screening for atmosphere 
      persistence were performed by comparative molecular field analysis (CoMFA) and 
      comparative molecular similarity index analysis (CoMSIA) methods. The mean and 
      maximum half-life estimations for degradation in air of 49 UNEP POPs and possible 
      POPs were modeled. Both groups' data have been modeled to obtain an average 
      estimate and a predictive value for ranking and screening purposes. CoMFA and 
      CoMSIA models have given cross-validation regression coefficient (q2) values of 
      more than 0.69 and correlation coefficient (r2) value of more than 0.84, which 
      validated for their prediction, could be applied to predict unavailable data.
FAU - Lv, Yuyin
AU  - Lv Y
AD  - Department of Materials and Chemical Engineering, Guilin University of 
      Technology, Guilin 541004, China. lvyuyin@163.com
FAU - Yin, Chunsheng
AU  - Yin C
FAU - Liu, Hongyan
AU  - Liu H
FAU - Yi, Zhongsheng
AU  - Yi Z
FAU - Wang, Yang
AU  - Wang Y
LA  - eng
PT  - Comparative Study
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
PL  - Netherlands
TA  - J Environ Sci (China)
JT  - Journal of environmental sciences (China)
JID - 100967627
RN  - 0 (Air Pollutants)
RN  - 0 (Organic Chemicals)
SB  - IM
MH  - Air Pollutants/analysis/*chemistry
MH  - Half-Life
MH  - Models, Molecular
MH  - Organic Chemicals/analysis/*chemistry
MH  - Quantitative Structure-Activity Relationship
EDAT- 2009/02/13 09:00
MHDA- 2009/03/20 09:00
CRDT- 2009/02/13 09:00
PHST- 2009/02/13 09:00 [entrez]
PHST- 2009/02/13 09:00 [pubmed]
PHST- 2009/03/20 09:00 [medline]
AID - 10.1016/s1001-0742(08)62545-0 [doi]
PST - ppublish
SO  - J Environ Sci (China). 2008;20(12):1433-8. doi: 10.1016/s1001-0742(08)62545-0.