Computer generation of acyclic graphs based on local vertex invariants and topological indices. Derived canonical labelling and coding of trees and alkanes

1992 ◽  
Vol 11 (1) ◽  
pp. 79-105 ◽  
Author(s):  
Teodor Silviu Balaban ◽  
Petru A. Filip ◽  
Ovidiu Ivanciuc

1993 ◽  
Vol 12 (1) ◽  
pp. 309-318 ◽  
Author(s):  
Ovidiu Ivanciuc ◽  
Teodor-Silviu Balaban ◽  
Alexandru T. Balaban


Author(s):  
M. Ramakrishnan ◽  
Sowmya Swaminathan ◽  
Jayaganesan Chandresekaran


2012 ◽  
Vol 35 (10) ◽  
pp. 2194 ◽  
Author(s):  
Yan LI ◽  
Le SUN ◽  
Huai-Zhong ZHU ◽  
You-Xi WU




2020 ◽  
Vol 16 (2) ◽  
pp. 190-195 ◽  
Author(s):  
Süleyman Ediz ◽  
Murat Cancan

Background: Reckoning molecular topological indices of drug structures gives the data about the underlying topology of these drug structures. Novel anticancer drugs have been leading by researchers to produce ideal drugs. Materials and Methods: Pharmacological properties of these new drug agents explored by utilizing simulation strategies. Topological indices additionally have been utilized to research pharmacological properties of some drug structures. Novel alkylating agents based anticancer drug candidates and ve-degree molecular topological indices have been introduced recently. Results and Conclusion: In this study we calculate ve-degree atom-bond connectivity, harmonic, geometric-arithmetic and sum-connectivity molecular topological indices for the newly defined alkylating agents based dual-target anticancer drug candidates.



2018 ◽  
Vol 8 (2) ◽  
pp. 309-316 ◽  
Author(s):  
S. Prabhu ◽  
M. Arulperumjothi ◽  
G. Murugan


2012 ◽  
Vol 31 (1) ◽  
pp. 76-80
Author(s):  
Wen Jau Lee ◽  
S.H. Ong




1994 ◽  
Vol 2 (1-2) ◽  
pp. 1-16 ◽  
Author(s):  
A. T. Balaban ◽  
C. Catana


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