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CNKI学位论文(4)
在“
Elsevier电子期刊
”中,
命中:
27
条,耗时:小于0.01 秒
在所有数据库中总计命中:
4
条
1.
Integration of ligand and structure-based virtual screening for identification of leading anabolic steroids
作者:
Yoanna Mar铆a Alvarez-Ginarte
;
Luis Alberto Montero-Cabrera
;
Jos茅 Manuel Garc铆a-de la Vega
;
Alberto Bencomo-Mart铆nez
;
Amaury Pupo
;
Alina Agramonte-Delgado
;
Yovani
Marrero
-
Ponce
;
Jos茅 Alberto Ruiz-Garc铆a
;
Hans Mikosch
关键词:
Anabolic steroids
;
Virtual screening
;
Quantum and physicochemical molecular descriptor
;
Cluster analysis
;
QSAR and docking studies
刊名:The Journal of Steroid Biochemistry and Molecular Biology
出版年:November, 2013
2.
Ligand-based discovery of novel trypanosomicidal drug-like compounds: In silico identification and experimental support
作者:
Juan Alberto Castillo-Garit
;
Maria Celeste Vega
;
Miriam Roló
n ;
Yovani
Marrero
-
Ponce
;
Alicia Gó
;
mez-Barrio
;
José
;
A. Escario
;
Alfredo Alvarez Bello
;
Alina Montero
;
Francisco Torrens
;
Facundo Pé
;
rez-Gimé
;
nez
;
Vicente J. Ará
n ;
Concepció
;
n Abad
关键词:
Bond-based linear indices
;
Trypanosoma cruzi
;
Trypanosomicidal
;
Anti-epimastigote elimination
;
Amastigote susceptibility assay
刊名:European Journal of Medicinal Chemistry
出版年:2011
3.
QSAR models for tyrosinase inhibitory activity description applying modern statistical classification techniques: A comparative study
作者:
Huong Le-Thi-Thu
;
Gladys Casas Cardoso
;
Gerardo M. Casañ
;
ola-Martin
;
Yovani
Marrero
-
Ponce
;
Amilkar Puris
;
Francisco Torrens
;
Antonio Rescigno
;
Concepció
;
n Abad
关键词:
TOMOCOMD-CARDD Software
;
Atom-based quadratic indices
;
Modern statistical methods
;
Tyrosinase inhibitor
;
ROC curve
;
Multiple Comparison Procedures
刊名:Chemometrics and Intelligent Laboratory Systems
出版年:2010
4.
Computational discovery of novel trypanosomicidal drug-like chemicals by using bond-based non-stochastic and stochastic quadratic maps and linear discriminant analysis
作者:
Juan Alberto Castillo-Garit
;
Maria C. Vega
;
Miriam Rolon
;
Yovani
Marrero
-
Ponce
;
Vladimir V. Kouznetsov
;
Diego Fern
;
o Amado Torres
;
Alicia Gó
;
mez-Barrio
;
Alfredo Alvarez Bello
;
Alina Montero
;
Franc
关键词:
TOMOCOMD-CARDD
software
;
Bond-based quadratic indices
;
LDA-assisted QSAR model
;
Virtual screening
;
Trypanosomicidal
;
Cytotoxicity
刊名:European Journal of Pharmaceutical Sciences
出版年:2010
5.
New set of 2D/3D thermodynamic indices for proteins. A formalism based on “Molten Globule” theory
作者:
B. Ruiz-Blanco Yasser
;
Y. Garcí
a ;
C.M. Sotomayor-Torres
;
Marrero
-
Ponce
Yovani
关键词:
Protein folding descriptor
;
Protein stability
;
Protein indices
;
FPI
;
Folding degree
刊名:Physics Procedia
出版年:2010
6.
Nucleotide's bilinear indices: Novel bio-macromolecular descriptors for bioinformatics studies of nucleic acids. I. Prediction of paromomycin's affinity constant with HIV-1 Ψ-RNA packaging regio
作者:
Yovani
Marrero
-
Ponce
;
Sadiel E. Ortega-Broche
;
Yunaimy Echeverrí
;
a Dí
;
az
;
Ysaias J. Alvarado
;
Nestor Cubillan
;
Gladys Casas Cardoso
;
Francisco Torrens
;
Facundo Pé
;
rez-Gimé
;
nez
关键词:
TOMOCOMD
-
CANAR
software
;
Nucleic acid and nucleotide bilinear indices
;
HIV-1 Ψ
;
-RNA packaging region
;
Paromomycin
;
Footprinting
;
QSPR
;
Multiple linear regression
刊名:Journal of Theoretical Biology
出版年:2009
7.
A novel approach to predict aquatic toxicity from molecular structure
作者:
Juan A. Castillo-Garit
;
Yovani
Marrero
-
Ponce
;
Jeanette Escobar
;
Francisco Torrens
;
Richard Rotondo
关键词:
Atom-based non-stochastic and stochastic linear index
;
Multiple linear regression
;
QSAR
;
Tetrahymena pyriformis
;
Program TOMOCOMD–
;
CARDD
刊名:Chemosphere
出版年:2008
8.
Chemometric and chemoinformatic analyses of anabolic and androgenic activities of testosterone and dihydrotestosterone analogues
作者:
Yoanna Marí
;
a Alvarez-Ginarte
;
Rachel Crespo-Otero
;
Yovani
Marrero
-
Ponce
;
Pedro Noheda-Marin
;
Jose Manuel Garcia de la Vega
;
Luis Alberto Montero-Cabrera
;
José
;
Alberto Ruiz Garcí
a ;
Jos
关键词:
QSAR model
;
Anabolic and androgenic activities
;
Testosterone and dihydrotestosterone steroid analogues
;
Genetic algorithm
;
Quantum and physicochemical molecular descriptor
刊名:Bioorganic and Medicinal Chemistry
出版年:2008
9.
Atom-based non-stochastic and stochastic bilinear indices: Application to QSPR/QSAR studies of organic compounds
作者:
Juan A. Castillo-Garit
;
Oscar Martinez-Santiago
;
Yovani
Marrero
-
Ponce
;
Gerardo M. Casañ
;
ola-Martí
n ;
Francisco Torrens
刊名:Chemical Physics Letters
出版年:2008
10.
TOMOCOMD-CARDD descriptors-based virtual screening of tyrosinase inhibitors: Evaluation of different classification model combinations using bond-based linear indices
作者:
Gerardo M. Casañ
;
ola-Martí
n ;
Yovani
Marrero
-
Ponce
;
Mahmud Tareq Hassan Khan
;
Arjum
;
Ather
;
Sadia Sultan
;
Francisco Torrens
;
Richard Rotondo
关键词:
TOMOCOMD-CARDD software
;
Non-stochastic and stochastic bond-based linear indices
;
LDA-based QSAR model
;
Tyrosinase inhibitor
;
Ethylsteroid compounds
;
Ligand-based virtual screening
刊名:Bioorganic and Medicinal Chemistry
出版年:2007
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