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CNKI会议论文(1)
CNKI学位论文(16)
知网期刊论文(12)
在“
SpringerLink电子期刊
”中,
命中:
13
条,耗时:小于0.01 秒
在所有数据库中总计命中:
29
条
1.
A new type of quinoxalinone derivatives affects viability, invasion, and intracellular growth of Toxoplasma gondii tachyzoites in vitro
作者:
Norma Rivera Fernández
;
Mónica Mondragón Castelán…
刊名:Parasitology Research
出版年:2016
2.
Novel global and local 3D atom-based linear descriptors of the Minkowski distance matrix: theory, diversity–variability analysis and QSPR applications
作者:
Néstor Cubillán
;
Yovani Marrero-Ponce…
关键词:
TOMOCOMD
;
CARDD
;
3D
;
linear index
;
Variability analysis
;
QSPR study
刊名:Journal of Mathematical Chemistry
出版年:2015
3.
Multi-output model with Box–Jenkins operators of linear indices to predict multi-target inhibitors of ubiquitin–proteasome pathway
作者:
Gerardo M. Casa?ola-Martin
;
Huong Le-Thi-Thu
;
Facundo Pérez-Giménez…
关键词:
Ubiquitin–proteasome pathway inhibitors
;
CHEMBL
;
Multi
;
target
;
Multi
;
scale and multi
;
output models
;
Moving averages
;
QSAR
刊名:Molecular Diversity
出版年:2015
4.
In vitro assessment of the acaricidal activity of computer-selected analogues of carvacrol and salicylic acid on Rhipicephalus (Boophilus) microplus
作者:
Ramírez L. Concepción (1) (2)
Ibarra V. Froylán (1)
Pérez M. Herminia I (2)
Manjarrez A. Norberto (2)
Salgado Z. Héctor J (3)
González C. Yeniel (4)
关键词:
Rhipicephalus (Boophilus) microplus
;
Acaricidal activity
;
Carvacrol
;
Salicylic acid
刊名:Experimental and Applied Acarology
出版年:2013
5.
Bond-based 2D TOMOCOMD-
CARDD
approach for drug discovery: aiding decision-making in ‘in silico-selection of new lead tyrosinase inhibitors
作者:
Yovani Marrero-Ponce
;
Mahmud Tareq Hassan Khan
;
Gerardo M. Casa?ola-Martín
;
Arjumand Ather
;
Mukhlis N. Sultankhodzhaev
;
Ramón García-Domenech
;
Francisco Torrens and Richard Rotondo
关键词:
TOMOCOMD
;
CARDD
software
;
Non
;
stochastic and stochastic bond
;
based bilinear indices
;
LDA
;
based QSAR model
;
Tyrosinase inhibitor
;
TetraKetones
;
Virtual screening
;
Biosilico identification
;
Experimental results
刊名:Journal of Computer-Aided Molecular Design
出版年:2007
6.
Bond-based linear indices of the non-stochastic and stochastic edge-adjacency matrix. 1. Theory and modeling of
ChemPhys
properties of organic molecules
作者:
Yovani Marrero-Ponce
;
Eugenio R. Mart¨ªnez-Albelo
;
Gerardo M. Casa?ola-Mart¨ªn
;
Juan A. Castillo-Garit
;
Yunaimy Echever¨ªa-D¨ªaz
;
Vicente Romero Zaldivar
;
Jan Tygat
;
Jos¨¦ E. Rodriguez Borges
;
Ram¨®n Garc¨ªa-Domenech and Francisco Torrens
;
et al.
关键词:
TOMOCOMD
;
CARDD
software
;
Edge
;
adjacency matrix
;
Stochastic linear map
;
Non
;
stochastic and stochastic bond
;
based linear index
;
QSPR study
;
Physicochemical property
;
Antibacterial activity
;
Octane isomers
;
2
;
Furylethylene derivative
刊名:Molecular Diversity
出版年:2010
7.
Novel 2D
TOMOCOMD-
CARDD
molecular descriptors: atom-based stochastic and non-stochastic bilinear indices and their QSPR applications
作者:
Yovani Marrero-Ponce
;
Francisco Torrens
;
Ram¨®n Garc¨ªa-Domenech
;
Sadiel E. Ortega-Broche and Vicente Romero Zaldivar
关键词:
TOMOCOMD
;
CARDD
software
;
Non
;
stochastic and stochastic atom
;
based bilinear indices
;
QSPR model
;
Genetic algorithm
;
Physicochemical properties
;
Octane isomers
刊名:Journal of Mathematical Chemistry
出版年:2008
8.
Bond-based 2D
TOMOCOMD-
CARDD
approach for drug discovery: aiding decision-making in ¡®in silico?selection of new lead tyrosinase inhibitors
作者:
Yovani Marrero-Ponce
;
Mahmud Tareq Hassan Khan
;
Gerardo M. Casa?ola-Mart¨ªn
;
Arjumand Ather
;
Mukhlis N. Sultankhodzhaev
;
Ram¨®n Garc¨ªa-Domenech
;
Francisco Torrens and Richard Rotondo
关键词:
TOMOCOMD
;
CARDD
software
;
Non
;
stochastic and stochastic bond
;
based bilinear indices
;
LDA
;
based QSAR model
;
Tyrosinase inhibitor
;
TetraKetones
;
Virtual screening
;
Biosilico identification
;
Experimental results
刊名:Journal of Computer-Aided Molecular Design
出版年:2007
9.
Bond-based linear indices in QSAR: computational discovery of novel anti-trichomonal compounds
作者:
Yovani Marrero-Ponce
;
Alfredo Meneses-Marcel
;
Oscar M. Rivera-Borroto
;
Ram¨®n Garc¨ªa-Domenech
;
Jesus Vicente De Juli¨¢n-Ortiz
;
Alina Montero
;
Jos¨¦ Antonio Escario
;
Alicia G¨®mez Barrio
;
David Montero Pereira and Juan Jos¨¦ Nogal
;
et al.
关键词:
TOMOCOMD
;
CARDD
software
;
Bond
;
based linear indices
;
LDA
;
assisted QSAR model
;
Virtual screening
;
Trichomonacidal
;
In vitro cytostatic and cytocidal activities
刊名:Journal of Computer-Aided Molecular Design
出版年:2008
10.
Non-stochastic and stochastic linear indices of the molecular pseudograph’s atom-adjacency matrix: a novel approach for computational in silico screening and “rational” selection of
作者:
Yovani Marrero-Ponce
;
Ricardo Medina Marrero
;
Francisco Torrens
;
Yamile Martinez
;
Milagros García Bernal
;
Vicente Romero Zaldivar
;
Eduardo A. Castro and Ricardo Grau Abalo
关键词:
TOMOCOMD
;
CARDD
software
;
Non
;
stochastic and stochastic linear index
;
Classification model
;
LDA
;
based QSAR
;
Antibacterial activity
刊名:Journal of Molecular Modeling
出版年:2006
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