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CNKI学位论文(4)
在“
SpringerLink电子期刊
”中,
命中:
5
条,耗时:小于0.01 秒
在所有数据库中总计命中:
4
条
1.
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
2.
3D-chiral (2.5) atom-based
TOMOCOMD-CARDD
descriptors: theory and QSAR applications to central chirality codification
作者:
Yovani Marrero-Ponce
;
Juan
Alberto
Castillo
-
Garit
;
Eduardo A. Castro
;
Francisco Torrens and Richard Rotondo
关键词:
Non
;
Stochastic and Stochastic 3D
;
chiral (2.5) atom
;
based TOMOCOMD
;
CARDD descriptors
;
3D
;
QSAR
;
Angiotesin
;
converting enzyme inhibitors
;
σ
;
Receptor antagonists
;
Binding affinity of steroids
刊名:Journal of Mathematical Chemistry
出版年:2008
3.
3D-chiral Atom, Atom-type, and Total Non-stochastic and Stochastic Molecular Linear Indices and their Applications to Central Chirality Codification
作者:
Yovani Marrero-Ponce and
Juan
A.
Castillo
-
Garit
关键词:
3D
;
QSAR
;
σ
;
receptor antagonists
;
angiotesin
;
converting enzyme inhibitors
;
binding affinity of steroids
;
non
;
stochastic and stochastic 3D
;
chiral linear indices
刊名:Journal of Computer-Aided Molecular Design
出版年:2005
4.
3D-chiral Atom, Atom-type, and Total Non-stochastic and Stochastic Molecular Linear Indices and their Applications to Central Chirality Codification
作者:
Yovani Marrero-Ponce and
Juan
A.
Castillo
-
Garit
关键词:
3D
;
QSAR
;
σ
;
receptor antagonists
;
angiotesin
;
converting enzyme inhibitors
;
binding affinity of steroids
;
non
;
stochastic and stochastic 3D
;
chiral linear indices
刊名:Journal of Computer-Aided Molecular Design
出版年:2005
5.
Tomocomd-Cardd, a novel approach for computer-aided ?rational?drug design: I. Theoretical and experimental assessment of a promising method for computational screening and in silico design of new
作者:
Marrero Ponce
;
Yovani
;
Castillo
Garit
;
Juan
;
Olazabal
;
Ervelio
;
Serrano
;
Hector
;
Morales
;
Alcidez
;
Casta?edo
;
Nilo
;
Ibarra Velarde
;
Froyl¨¢n
;
Huesca Guillen
;
Alma
;
Jorge
;
Elisa
;
Valle
;
Arletys
;
Torrens
;
Francisco
;
Castro
关键词:
anthelmintic activity
;
QSAR
;
TOMOCOMD
;
CARDDsoftware
;
total and local quadratic indices
;
virtual screening
刊名:Journal of Computer-Aided Molecular Design
出版年:2004
1
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