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内部出版物
CNKI学位论文(15)
知网期刊论文(1)
在“
SpringerLink电子期刊
”中,
命中:
5
条,耗时:0.0190307 秒
在所有数据库中总计命中:
16
条
1.
Explori
n
g differe
n
t strategies for imbala
n
ced ADME data problem: case study o
n
Caco-2 permeability modeli
n
g
作者:
Hai Pham-The
;
Gerardo
Casa
ñ
ola
-
Mart
i
n
;
Teresa Garrigues…
关键词:
ADME modeli
n
g
;
Caco
;
2 cell permeability
;
Biopharmaceutics classificatio
n
system
;
Support vector machi
n
e
;
Cost
;
se
n
sitive lear
n
i
n
g
;
Resampli
n
g tech
n
ique
刊名:Molecular Diversity
出版年:2016
2.
Multi-output model with Box–Je
n
ki
n
s operators of li
n
ear i
n
dices to predict multi-target i
n
hibitors of ubiquiti
n
–proteasome pathway
作者:
Gerardo
M.
Casa
?
ola
-
Mart
i
n
;
Huo
n
g Le-Thi-Thu
;
Facu
n
do Pérez-Gimé
n
ez…
关键词:
Ubiquiti
n
–proteasome pathway i
n
hibitors
;
CHEMBL
;
Multi
;
target
;
Multi
;
scale a
n
d multi
;
output models
;
Movi
n
g averages
;
QSAR
刊名:Molecular Diversity
出版年:2015
3.
Bo
n
d-based li
n
ear i
n
dices of the
n
o
n
-stochastic a
n
d stochastic edge-adjace
n
cy matrix. 1. Theory a
n
d modeli
n
g of
ChemPhys
properties of orga
n
ic molecules
作者:
Yova
n
i Marrero-Po
n
ce
;
Euge
n
io R.
Mart
¨ª
n
ez-Albelo
;
Gerardo
M.
Casa
?
ola
-
Mart
¨ª
n
;
Jua
n
A. Castillo-Garit
;
Yu
n
aimy Echever¨ªa-D¨ªaz
;
Vice
n
te Romero Zaldivar
;
Ja
n
Tygat
;
Jos¨¦ E. Rodriguez Borges
;
Ram¨®
n
Garc¨ªa-Dome
n
ech a
n
d Fra
n
cisco Torre
n
s
;
et al.
关键词:
TOMOCOMD
;
CARDD software
;
Edge
;
adjace
n
cy matrix
;
Stochastic li
n
ear map
;
N
o
n
;
stochastic a
n
d stochastic bo
n
d
;
based li
n
ear i
n
dex
;
QSPR study
;
Physicochemical property
;
A
n
tibacterial activity
;
Octa
n
e isomers
;
2
;
Furylethyle
n
e derivative
刊名:Molecular Diversity
出版年:2010
4.
Bo
n
d-based 2D TOMOCOMD-CARDD approach for drug discovery: aidi
n
g decisio
n
-maki
n
g i
n
‘i
n
silico-selectio
n
of
n
ew lead tyrosi
n
ase i
n
hibitors
作者:
Yova
n
i Marrero-Po
n
ce
;
Mahmud Tareq Hassa
n
Kha
n
;
Gerardo
M.
Casa
?
ola
-
Mart
í
n
;
Arjuma
n
d Ather
;
Mukhlis
N
. Sulta
n
khodzhaev
;
Ramó
n
García-Dome
n
ech
;
Fra
n
cisco Torre
n
s a
n
d Richard Roto
n
do
关键词:
TOMOCOMD
;
CARDD software
;
N
o
n
;
stochastic a
n
d stochastic bo
n
d
;
based bili
n
ear i
n
dices
;
LDA
;
based QSAR model
;
Tyrosi
n
ase i
n
hibitor
;
TetraKeto
n
es
;
Virtual scree
n
i
n
g
;
Biosilico ide
n
tificatio
n
;
Experime
n
tal results
刊名:Jour
n
al of Computer-Aided Molecular Desig
n
出版年:2007
5.
Bo
n
d-based 2D
TOMOCOMD-CARDD
approach for drug discovery: aidi
n
g decisio
n
-maki
n
g i
n
¡®i
n
silico?selectio
n
of
n
ew lead tyrosi
n
ase i
n
hibitors
作者:
Yova
n
i Marrero-Po
n
ce
;
Mahmud Tareq Hassa
n
Kha
n
;
Gerardo
M.
Casa
?
ola
-
Mart
¨ª
n
;
Arjuma
n
d Ather
;
Mukhlis
N
. Sulta
n
khodzhaev
;
Ram¨®
n
Garc¨ªa-Dome
n
ech
;
Fra
n
cisco Torre
n
s a
n
d Richard Roto
n
do
关键词:
TOMOCOMD
;
CARDD software
;
N
o
n
;
stochastic a
n
d stochastic bo
n
d
;
based bili
n
ear i
n
dices
;
LDA
;
based QSAR model
;
Tyrosi
n
ase i
n
hibitor
;
TetraKeto
n
es
;
Virtual scree
n
i
n
g
;
Biosilico ide
n
tificatio
n
;
Experime
n
tal results
刊名:Jour
n
al of Computer-Aided Molecular Desig
n
出版年:2007
1
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