Method for selecting topological and topographical descriptors of the biological activity of chemical compounds

1980 ◽  
Vol 14 (7) ◽  
pp. 456-459
Author(s):  
T. I. Gusarova ◽  
G. S. Grinenko ◽  
M. L. Gerasimova ◽  
L. S. Gitlina ◽  
V. E. Golender ◽  
...  
Keyword(s):  
Biological Activity ◽  
Chemical Compounds

scholarly journals A Computational Approach on Acetaminophen Drug using Degree-Based Topological Indices and M-Polynomials

2021 ◽  
Vol 12 (6) ◽  
pp. 7249-7266
Keyword(s):  
Biological Activity ◽  
Physicochemical Properties ◽  
Chemical Structure ◽  
Topological Index ◽  
Chemical Reactivity ◽  
Chemical Compounds ◽  
Computational Approach ◽  
Topological Indices ◽  
Numerical Representation ◽  
Essential Drug

Topological index is a numerical representation of a chemical structure. Based on these indices, physicochemical properties, thermodynamic behavior, chemical reactivity, and biological activity of chemical compounds are calculated. Acetaminophen is an essential drug to prevent/treat various types of viral fever, including malaria, flu, dengue, SARS, and even COVID-19. This paper computes the sum and multiplicative version of various topological indices such as General Zagreb, General Randić, General OGA, AG, ISI, SDD, Forgotten indices M-polynomials of Acetaminophen. To the best of our knowledge, for the Acetaminophen drugs, these indices have not been computed previously.

Robustness of Biological Activity Spectra Predicting by Computer Program PASS for Noncongeneric Sets of Chemical Compounds

2000 ◽  
Vol 40 (6) ◽  
pp. 1349-1355 ◽  
Author(s):  
V. V. Poroikov ◽  
D. A. Filimonov ◽  
Yu. V. Borodina ◽  
A. A. Lagunin ◽  
A. Kos
Keyword(s):  
Biological Activity ◽  
Computer Program ◽  
Chemical Compounds

Aktywność biologiczna wybranych składników olejków eterycznych. Cz. 2

2020 ◽  
Vol 21 (1) ◽  
Author(s):  
Katarzyna Antoniak ◽  
Wiesława Bylka
Keyword(s):  
Biological Activity ◽  
Essential Oils ◽  
Recent Literature ◽  
Chemical Compounds ◽  
Common Components

Essential oils are mixtures of numerous chemical compounds, especially terpenes also phenylpropane derivatives. Essential oils components are characterized by different biological activity. The paper presents the most recent literature data concerning the activity of the compounds, which are common components oils: linalool, pulegone, santalol, spathulenol, α-terpineol and β-jonone.

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