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知网期刊论文(2)
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:
3
条
1.
Derivatives in discrete mathematics: a novel graph-theoretical invariant for generating new 2/3D molecular descriptors. I. Theory and QSPR application
作者:
Yovani Marrero-Ponce (1) (2)
Oscar Martínez Santiago (1) (3)
Yoan Martínez López (1) (4)
Stephen J. Barigye (1)
Francisco Torrens (2)
关键词:
Discrete mathematics
;
Chemical graph theory
;
Molecular graph
;
Sub
;
graph
;
Incidence matrix
;
Frequency matrix
;
Derivative of molecular graph
;
Invariant
;
QSPR study
;
Physicochemical property
;
Derivatives of 2
;
furylethylene
刊名:Journal of Computer-Aided Molecular Design
出版年:2012
2.
Application to QSAR studies of 2-
furylethylene
derivatives
作者:
Cristina D. Moldovan
;
Adina Costescu
;
Gabriel Katona and Mircea V. Diudea
关键词:
QSAR
;
2
;
furylethylene
;
log P
;
Similarity
;
TOPOCLUJ
;
DRAGON
刊名:Journal of Mathematical Chemistry
出版年:2009
3.
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
4.
Bond-based global and local (bond, group and bond-type) quadratic indices and their applications to computer-aided molecular design. 1. QSPR studies of diverse sets of organic chemicals
作者:
Yovani Marrero-Ponce
;
Francisco Torrens
;
Ysaias J. Alvarado and Richard Rotondo
关键词:
TOMOCOMD
;
CARDD software
;
Non
;
stochastic and stochastic bond
;
based quadratic indices
;
Edge
;
adjacency matrix
;
Stochastic matrix
;
QSPR study
;
QSPR model
;
Physicochemical property
;
Octane isomers
;
Alkyl
;
alcohol
;
2
;
Furylethylene
刊名:Journal of Computer-Aided Molecular Design
出版年:2006
5.
Bond-based global and local (bond, group and bond-type) quadratic indices and their applications to computer-aided molecular design. 1. QSPR studies of diverse sets of organic chemicals
作者:
Yovani Marrero-Ponce
;
Francisco Torrens
;
Ysaias J. Alvarado and Richard Rotondo
关键词:
TOMOCOMD
;
CARDD software
;
Non
;
stochastic and stochastic bond
;
based quadratic indices
;
Edge
;
adjacency matrix
;
Stochastic matrix
;
QSPR study
;
QSPR model
;
Physicochemical property
;
Octane isomers
;
Alkyl
;
alcohol
;
2
;
Furylethylene
刊名:Journal of Computer-Aided Molecular Design
出版年:2006
1
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