QSPR study on the photolysis half-life of PCDD/Fs adsorbed on spruce (Picea abies (L.) Karst.) needle surfaces under sunlight irradiation by using a molecular distance-edge vector index

RSC Advances ◽  
2015 ◽  
Vol 5 (9) ◽  
pp. 6617-6624 ◽  
Author(s):  
Long Jiao ◽  
Xiaofei Wang ◽  
Shan Bing ◽  
Zhiwei Xue ◽  
Hua Li
Keyword(s):  
Picea Abies ◽  
Half Life ◽  
Sunlight Irradiation ◽  
Vector Index ◽  
Qspr Study ◽  
Edge Vector

QSPR study on the photolysis half-life of PCDD/Fs adsorbed to spruce (Picea abies (L.) Karst.) needle surfaces under sunlight irradiation.

scholarly journals QSPR study on the gas/particle partition coefficient of PCBs by using molecular distance-edge vector index

2014 ◽  
Vol 79 (8) ◽  
pp. 965-975 ◽  
Author(s):  
Long Jiao ◽  
Xiaofei Wang ◽  
LI. Hua ◽  
Yunxia Wang
Keyword(s):  
Partition Coefficient ◽  
Cross Validation ◽  
External Validation ◽  
Quantitative Relationship ◽  
Structure Property ◽  
Prediction Ability ◽  
Vector Index ◽  
Artificial Neural Network Ann ◽  
Leave One Out ◽  
Edge Vector

The quantitative structure property relationship (QSPR) for gas/particle partition coefficient, Kp, of polychlorinated biphenyls (PCBs) was investigated. Molecular distance-edge vector (MDEV) index was used as the structural descriptor of PCBs. The quantitative relationship between the MDEV index and log Kp was modeled by multivariate linear regression (MLR) and artificial neural network (ANN) respectively. Leave one out cross validation and external validation were carried out to assess the prediction ability of the developed models. When the MLR method is used, the root mean square relative error (RMSRE) of prediction for leave one out cross validation and external validation is 4.72 and 8.62 respectively. When the ANN method is employed, the prediction RMSRE of leave one out cross validation and external validation is 3.87 and 7.47 respectively. It is demonstrated that the developed models are practicable for predicting the Kp of PCBs. The MDEV index is shown to be quantitatively related to the Kp of PCBs.

scholarly journals PREDICTING THE BOILING POINT OF PCDD/Fs BY THE QSPR METHOD BASED ON THE MOLECULAR DISTANCE-EDGE VECTOR INDEX

Química Nova ◽  
2015 ◽  
Author(s):  
Long Jiao ◽  
Xiaofei Wang ◽  
Shan Bing ◽  
Zhiwei Xue ◽  
Hua Li
Keyword(s):  
Boiling Point ◽  
Vector Index ◽  
Edge Vector

Photodegradation of PCDD/Fs adsorbed on spruce (Picea abies (L.) Karst.) needles under sunlight irradiation

Chemosphere ◽  
2003 ◽  
Vol 50 (9) ◽  
pp. 1217-1225 ◽  
Author(s):  
Junfeng Niu ◽  
Jingwen Chen ◽  
B. Henkelmann ◽  
Xie Quan ◽  
Fenglin Yang ◽  
...  
Keyword(s):  
Picea Abies ◽  
Sunlight Irradiation

Predicting the Aqueous Solubility of PCDD/Fs by using QSPR Method Based on the Molecular Distance-Edge Vector Index

2015 ◽  
Vol 36 (4) ◽  
pp. 527-543
Author(s):  
Long Jiao ◽  
Shan Bing ◽  
Xiaofei Wang ◽  
Donghui Xia ◽  
Hua Li
Keyword(s):  
Aqueous Solubility ◽  
Vector Index ◽  
Edge Vector

Effects of Partial Cutting and Scarification on Planted Picea abies at Mid-elevation Sites in South-east Norway

2003 ◽  
Vol 18 (3) ◽  
pp. 237-246 ◽  
Author(s):  
Aksel Granhus ◽  
Finn H. Brække ◽  
Kjersti Holt Hanssen ◽  
Oddvar Haveraaen
Keyword(s):  
Picea Abies ◽  
Partial Cutting
Sign in / Sign up

Export Citation Format

Share Document