New method for the classification of substituents in the aromatic ring for a rational determination of the primary sampling of chemical compounds in research on the quantitative relationships between chemical structure and biological activity

1979 ◽  
Vol 13 (3) ◽  
pp. 245-251
Author(s):  
A. A. Ordukhanyan ◽  
A. S. Kabankin ◽  
M. A. Landau
Keyword(s):  
Biological Activity ◽  
Aromatic Ring ◽  
Chemical Structure ◽  
Chemical Compounds ◽  
New Method

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.

scholarly journals Topological Indices of mth Chain Silicate Graphs

Mathematics ◽  
2019 ◽  
Vol 7 (1) ◽  
pp. 42 ◽  
Author(s):  
Jia-Bao Liu ◽  
Muhammad Kashif Shafiq ◽  
Haidar Ali ◽  
Asim Naseem ◽  
Nayab Maryam ◽  
...  
Keyword(s):  
Biological Activity ◽  
Chemical Structure ◽  
Chemical Properties ◽  
Chemical Compounds ◽  
Topological Indices ◽  
Numerical Representation ◽  
Topological Descriptor ◽  
Physico Chemical ◽  
Chain Silicate ◽  
Atom Bond

A topological index is a numerical representation of a chemical structure, while a topological descriptor correlates certain physico-chemical characteristics of underlying chemical compounds besides its numerical representation. A large number of properties like physico-chemical properties, thermodynamic properties, chemical activity, and biological activity are determined by the chemical applications of graph theory. The biological activity of chemical compounds can be constructed by the help of topological indices such as atom-bond connectivity (ABC), Randić, and geometric arithmetic (GA). In this paper, Randić, atom bond connectivity (ABC), Zagreb, geometric arithmetic (GA), ABC4, and GA5 indices of the mth chain silicate S L ( m , n ) network are determined.

Application of reporter strains for new antibiotic screening

2016 ◽  
Vol 62 (2) ◽  
pp. 117-123 ◽  
Author(s):  
P.V. Sergiev ◽  
I.A. Osterman ◽  
A.Ya. Golovina ◽  
I.G. Laptev ◽  
P.I. Pletnev ◽  
...  
Keyword(s):  
Mechanism Of Action ◽  
Early Identification ◽  
Chemical Structure ◽  
Medical Science ◽  
Primary Screening ◽  
Antibiotic Screening ◽  
New Antibiotics ◽  
Reporter Strains

Screening for new antibiotics remains an important area of biology and medical science. Indispensable for this type of research is early identification of antibiotic mechanism of action. Preferentially, it should be studied quickly and cost-effectively, on the stage of primary screening. In this review we describe an application of reporter strains for rapid classification of antibiotics by its target, without prior purification of an active compound and determination of chemical structure

DISTANCE IN ZIGZAG POLYHEX NANOTORUS

2008 ◽  
Vol 07 (05) ◽  
pp. 1029-1039
Author(s):  
MEHDI ELIASI ◽  
BIJAN TAERI
Keyword(s):  
Biological Activity ◽  
Graph Theory ◽  
Physicochemical Properties ◽  
Chemical Structure ◽  
Chemical Compounds ◽  
Topological Indices ◽  
Definition Of

Graph theory was successfully applied in developing a relationship between chemical structure and biological activity. The concept of distance in graphs is basic in the definition of various topological indices for chemical compounds, which determines some of the physicochemical properties of them. In this paper, we explain a method, using the concept of distance in the graph of zigzag polyhex nanotorus, which enables us to compute different topological indices simultaneously.

An Experimental Validation of a New Method for Multimodel Identification

2017 ◽  
Vol 140 (2) ◽  
Author(s):  
Anis Messaoud ◽  
Ridha Ben Abdennour
Keyword(s):  
Nonlinear System ◽  
Experimental Validation ◽  
Chemical Reactor ◽  
New Method ◽  
Data Set ◽  
Weighting Functions ◽  
Systematic Determination

In this paper, we propose a new method for an optimal systematic determination of models' base for multimodel identification. This method is based on the neural classification of data set picked out on a considered nonlinear system. The obtained cluster centers are exploited to provide the weighting functions and to deduce the corresponding dispersions and their models' base. A simulation example and an experimental validation on a chemical reactor are presented to evaluate the effectiveness of the proposed method.

scholarly journals Precision-targeted metabolomics method characterizes differential metabolomes in multiple-biological matrixes and cell-mitochondria

2019 ◽  
Author(s):  
Xialin Luo ◽  
Rui Guo ◽  
Jingjing Liu ◽  
Aihua Zhang ◽  
Xijun Wang ◽  
...  
Keyword(s):  
New Method ◽  
Plant Tissues ◽  
Targeted Metabolomics ◽  
Rat Urine ◽  
Classification Of Diseases ◽  
Diagnosis And Classification ◽  
Insight Into ◽  
Key Questions

This new method has the capacity to dynamically analyse the metabolome of interest in diverse biological matrixes by offering coverage of rat urine, plasma, liver, brain, intestine, stomach, heart, spleen, lung, faeces, fresh plant tissues, cells and microbes. In addition, this new method enables specific and efficient analysis of microdontia metabolomes, non-microdontia and whole cell metabolomes, as well as can engage in absolute determination of 84 key clinical-wide metabolites in different biological matrixes, to enable the complementary support of clinical diagnosis and classification of diseases. To demonstrate the applicable capacity of this new method, multiple-matrixes differential metabolomes were firstly characterized using this new method to coordinate metabolic modifications underlie hepatitis induced by carbon tetrachloride (CCL4) in rats, such finding provides novel insight into the pathogenesis and therapeutics of hepatitis in clinic. Altogether, we are fully confident that this new metabolomics method will be widely welcomed by scientists in different niches to solve their key questions accordingly.

A new method for the determination of nitrates

1960 ◽  
Vol 23 ◽  
pp. 227-232 ◽  
Author(s):  
P WEST ◽  
G LYLES
Keyword(s):  
New Method

A New Method for the Determination of Plasma Activators of Fibrinolysis

1977 ◽  
Vol 37 (02) ◽  
pp. 210-215 ◽  
Author(s):  
R Margalit ◽  
E Gidron ◽  
Y Shalitin
Keyword(s):  
New Method ◽  
Effective Activator

SummaryThe term “effective activator” of plasminogen is proposed, to denote the resultant of activator-antiactivator interaction, and a method for the determination of the level of these activators is described. By adding axcess plasminogen to the euglobulin fraction of plasma the influence of the level of endogenous plasminogen and of the antiplasmin is eliminated. It is shown that the level of fibrinogen has very little bearing on the results. An effective activator unit is defined as equal to 1 CTA unit of urokinase activity on a fibrinogen-plasminogen substrate.

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