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内部出版物
在“
Elsevier电子期刊
”中,
命中:
47
条,耗时:小于0.01 秒
1.
QSPR study on the flash point of organic binary mixtures by using
electrotopological
state index
作者:
Long Jiao
a
;
mop@xsyu.edu.cn" class="auth_mail" title="E-mail the corresponding author
;
Xiaofeng Zhang
a
;
Yucui Qin
a
;
Xiaofei Wang
a
;
Hua Li
a
;
b
关键词:
QSPR
;
Flash point
;
Organic binary mixtures
;
Electrotopological
state index
;
Radial basis function artificial neural network
刊名:Chemometrics and Intelligent Laboratory Systems
出版年:2016
2.
Hazard of pharmaceuticals for aquatic environment: Prioritization by structural approaches and prediction of ecotoxicity
作者:
Alessandro Sangion
;
Paola Gramatica
;
paola.gramatica@uninsubria.it" class="auth_mail" title="E-mail the corresponding author
;
关键词:
APIs
;
Active Pharmaceutical Ingredients
;
AD
;
applicability domain
;
ATI
;
Aquatic Toxicity Index
;
PBT
;
Persistence
;
Bioaccumulation and Toxicity
;
CAS
;
Chemical Abstract Service
;
CCC
;
concordance correlation coefficient
;
CEC
;
Contaminants of Emerging Concern
;
ECOSAR
;
Ecological Structure Activity Relationships
;
E-State
;
electrotopological
state
;
ERA
;
Environmental Risk Assessment
;
EE2
;
estrogen ethinyl estradiol
;
EMEA
;
European Medicines Agency
;
CSTEE
;
European Union Commission's Scientific Committ
刊名:Environment International
出版年:2016
3.
QSAR analysis of the effects of OATP1B1 transporter by structurally diverse natural products using a particle swarm optimization-combined multiple linear regression approach
作者:
Dong-Sheng Cao
;
Shao Liu
;
Lan Fan
;
Yi-Zeng Liang
关键词:
Natural products
;
OATP1B1 transporter
;
Quantitative structure&ndash
;
activity relationship (QSAR)
;
Drug&ndash
;
nature product interaction
;
Particle swarm optimization-based multiple linear regression (PSO-MLR)
刊名:Chemometrics and Intelligent Laboratory Systems
出版年:15 January, 2014
4.
Using
electrotopological
state indices to model the depuration rates of polychlorinated biphenyls in mussels of Elliptio complanata
作者:
Lei Wang
;
Xinhui Liu
;
Zhengjun Shan
;
Lili Shi
关键词:
depuration
;
polychlorinated biphenyls
;
electrotopological
state indices
;
QSAR
;
Elliptio complanata
刊名:Journal of Environmental Sciences
出版年:2010
5.
Prediction of the net heat of combustion of organic compounds based on atom-type
electrotopological
state indices
作者:
H.Y. Cao
;
J.C. Jiang
;
Y. Pan
;
R. Wang
;
Y. Cui
关键词:
Electrotopological
state indices
;
Organic compounds
;
Net heat of combustion
;
Prediction
;
Quantitative structure–
;
property relationship (QSPR)
刊名:Journal of Loss Prevention in the Process Industries
出版年:2009
6.
Prediction of impact sensitivity of nitro energetic compounds by neural network based on
electrotopological
-state indices
作者:
Rui Wang
;
Juncheng Jiang
;
Yong Pan
;
Hongyin Cao
;
Yi Cui
关键词:
Quantitative structure–
;
property relationship
;
Electrotopological
-state indices
;
Artificial neural network
;
Impact sensitivity
;
Nitro energetic compounds
刊名:Journal of Hazardous Materials
出版年:2009
7.
Environmental toxicological fate prediction of diverse organic chemicals based on steady-state compartmental chemical mass ratio using quantitative structure-fate relationship (QSFR) models
作者:
Subrata Pramanik
;
Kunal Roy
;
kunalroy_in@yahoo.com
;
kroy@pharma.jdvu.ac.in
;
关键词:
QSAR
;
QSPR
;
QSFR
;
Mass ratio
;
Chemometric tools
;
Toxicological fate assessment
刊名:Chemosphere
出版年:2013
8.
Structural analysis of ¦Á-glucosidase inhibitors by validated QSAR models using topological and hydrophobicity based descriptors
作者:
N.S. Hari Narayana
;
Moorthy
;
;
a
;
;
hari.moorthy@fc.up.pt
;
Maria J.
;
Ramos
a
;
Pedro A.
;
Fernandes
a
;
;
pafernan@fc.up.pt
关键词:
QSAR
;
¦Á-glucosidase inhibitors
;
Electrotopological
descriptors
;
Hydrophobicity
;
Molecular connectivity (Chi)
刊名:Chemometrics and Intelligent Laboratory Systems
出版年:2011
9.
Prediction of auto-ignition temperatures of hydrocarbons by neural network based on atom-type
electrotopological
-state indices
作者:
Yong Pan
;
Juncheng Jiang
;
Rui Wang
;
Hongyin Cao
;
Jinbo Zhao
关键词:
Quantitative structure–
;
property relationship (QSPR)
;
Electrotopological
-state indices
;
Artificial neural network
;
Auto-ignition temperature
;
Hydrocarbons
刊名:Journal of Hazardous Materials
出版年:2008
10.
Activity landscape modeling of PPAR ligands with dual-activity difference maps
作者:
Oscar Mé
;
ndez-Lucio
a
;
Jaime Pé
;
rez-Villanueva
b
;
Rafael Castillo
a
;
;
José
;
L. Medina-Franco
c
;
jmedina@tpims.org
关键词:
DAD
;
dual activity difference
;
DM
;
diabetes mellitus
;
EStateIndices
;
electrotopological
state indices
;
PPAR
;
peroxisome-proliferator-activated receptor
;
ROCS
;
Rapid Overlay of Chemical Structures
;
SAR
;
structure&ndash
;
activity relationships
;
TAD
;
triple a
刊名:Bioorganic and Medicinal Chemistry
出版年:2012
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