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CNKI学位论文(462)
CNKI期刊论文0611(1)
知网期刊论文(207)
在“
Elsevier电子期刊
”中,
命中:
163
条,耗时:小于0.01 秒
在所有数据库中总计命中:
670
条
1.
Design, synthesis and SAR analysis of potent BACE1 inhibitors: Possible lead drug candidates for Alzheimer's disease
作者:
Hamadeh Tarazi
a
;
b
;
Raed Abu Odeh
b
;
c
;
Raed Al-Qawasmeh
d
;
Imad Abu Yousef
e
;
Wolfgang Voelter
f
;
Taleb H. Al-Tel
a
;
b
;
taltal@sharjah.ac.ae
关键词:
β-secretase inhibitors
;
Alzheimer's disease
;
Transition state mimics
;
Structure-based drug design
;
Structure activity relationship
;
Isophthalic acid derivatives
;
Molecular modeling
刊名:European Journal of Medicinal Chemistry
出版年:2017
2.
The “double cross-validation”
software
tool for MLR
QSAR
model development
作者:
Kunal Roy
;
kunalroy_in@yahoo.com
;
kroy@pharma.jdvu.ac.in
;
;
Pravin Ambure
关键词:
QSAR
;
QSPR
;
Double cross-validation
;
Prediction errors
;
Validation set
刊名:Chemometrics and Intelligent Laboratory Systems
出版年:2016
3.
Building up a
QSAR
model for toxicity toward Tetrahymena pyriformis by the Monte Carlo method: A case of benzene derivatives
作者:
Alla P. Toropova
a
;
alla.toropova@marionegri.it" class="auth_mail" title="E-mail the corresponding author
;
Terry W. Schultz
b
;
Andrey A. Toropov
a
关键词:
QSAR
;
Tetrahymena pyriformis
;
Toxicity
;
Monte Carlo method
;
CORAL
software
刊名:Environmental Toxicology and Pharmacology
出版年:2016
4.
Simplified molecular input line entry system-based descriptors in
QSAR
modeling for HIV-protease inhibitors
作者:
Md Ataul Islam
a
;
Tahir S. Pillay
a
;
b
;
tspillay@gmail.com" class="auth_mail" title="E-mail the corresponding author
关键词:
HIV-protease
;
Descriptors
;
QSAR
;
Monte Carlo method
;
SMILES
;
CORAL
software
刊名:Chemometrics and Intelligent Laboratory Systems
出版年:2016
5.
Rational design, synthesis and 2D-
QSAR
study of novel vasorelaxant active benzofuran-pyridine hybrids
作者:
Aladdin M. Srour
a
;
aladdinsrour@gmail.com" class="auth_mail" title="E-mail the corresponding author
;
Somaia S. Abd El-Karim
a
;
Dalia O. Saleh
b
;
Wafaa I. El-Eraky
b
;
Zeinab M. Nofal
a
关键词:
Benzofuran
;
Pyridinecarbonitrile
;
Vasodilator
;
Amiodarone
;
QSAR
刊名:Bioorganic & Medicinal Chemistry Letters
出版年:2016
6.
QSAR
Model for Cytotoxicity of Silica Nanoparticles on Human Embryonic Kidney Cells
1
作者:
Serena Manganelli
;
serena.manganelli@marionegri.it" class="auth_mail" title="E-mail the corresponding author
;
Caterina Leone
;
Andrey A. Toropov
;
Alla P. Toropova
;
Emilio Benfenati
关键词:
nano
QSAR
;
CORAL
software
;
silica nanoparticle
;
cell viability
;
quasi-SMILES
刊名:Materials Today: Proceedings
出版年:2016
7.
Improved building up a model of toxicity towards Pimephales promelas by the Monte Carlo method
作者:
Alla P. Toropova
a
;
alla.toropova@marionegri.it
;
Andrey A. Toropov
a
;
Maria Raskova
b
;
Ivan Raska
b
关键词:
QSAR
;
Toxicity
;
Pimephales promelas
;
Monte carlo method
;
CORAL
software
刊名:Environmental Toxicology and Pharmacology
出版年:2016
8.
Monte Carlo method for predicting of cardiac toxicity: hERG blocker compounds
作者:
Marco Gobbi
a
;
Marten Beeg
a
;
Mariya A. Toropova
a
;
b
;
Andrey A. Toropov
c
;
andrey.toropov@marionegri.it" class="auth_mail" title="E-mail the corresponding author
;
aatoropov@yahoo.com" class="auth_mail" title="E-mail the corresponding author
;
Mario Salmona
d
关键词:
Monte Carlo method
;
Cardiac toxicity
;
QSAR
;
OECD principles
;
CORAL
software
刊名:Toxicology Letters
出版年:2016
9.
Quantitative structure-activity relationship study on potent anticancer compounds against MOLT-4 and P388 leukemia cell lines
作者:
David Ebuka Arthur
;
hanslibs@myway.com" class="auth_mail" title="E-mail the corresponding author
;
Adamu Uzairu
;
Paul Mamza
;
Stephen Abechi
关键词:
QSAR
method
;
Anticancer
;
paDEL descriptors
;
Applicability domain
;
Cell lines
;
NCI database
刊名:Journal of Advanced Research
出版年:2016
10.
QSAR
model for predicting cell viability of human embryonic kidney cells exposed to SiO
2
nanoparticles
作者:
Serena Manganelli
;
serena.manganelli@marionegri.it" class="auth_mail" title="E-mail the corresponding author
;
Caterina Leone
;
Andrey A. Toropov
;
Alla P. Toropova
;
Emilio Benfenati
关键词:
Quasi-SMILES
;
Nano
QSAR
;
CORAL
software
;
Silica nanoparticle
;
Cell viability
刊名:Chemosphere
出版年:2016
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