Results 101 to 110 of about 3,144 (190)

Computing connection-based topological indices of a carbon nanotubes

South African Journal of Chemical Engineering
Topological indices (TIs) are mathematical codings of the molecular graphs that predict the physicochemical, biological, toxicological, and structural properties of the chemical compounds.
Ejaz Ul Haq, Abid Mahboob, Muhammad Waheed Rasheed, Sumira Sattar, Muhammad Waqas   +4 more
doaj   +1 more source

Extremal values on Zagreb indices of trees with given distance k-domination number. [PDF]

J Inequal Appl, 2018
Pei L, Pan X.
europepmc   +1 more source

Lower bounds for the Zagreb indices of trees with given total domination number and its applications in QSPR studies of alkanes. [PDF]

Sci Rep
Manuel M, Parthiban A.
europepmc   +1 more source

Reverse Zagreb Indices and Their Application in the Evaluation of Physiochemical Properties of Anticancer/Antibacterial Drugs. [PDF]

ACS Omega
Rao Y, Chen R, Ahmad H, Ahmad U.
europepmc   +1 more source

Developing a QSPR model for Alzheimer's drugs using topological indices and M-polynomial: A computational study. [PDF]

Sci Rep
Akhbari MH, Movahedi F, Zameni M, Shahavi MH.   +3 more
europepmc   +1 more source

Leveraging topological indices and machine learning for advanced prediction of antidepressant drug properties. [PDF]

Sci Rep
Zhang G, Noureen S, Azam S, Abdalla MEM, Dafaalla ME, Aslam A, Tola KA.   +6 more
europepmc   +1 more source

On the Zagreb indices as complexity indices

, 2000
Two original Zagreb indices, denoted M(1) and M(2), and introduced in 1972, were symmetry-modified by summing up only degrees (SMM(1)) or edge-weights (SMM(2)) of symmetry nonequivalent vertices or edges of graphs. Their dependence on the structural features and symmetry of molecular graphs is studied.
Nikolić, Sonja, Tolić, Iva Marija, Trinajstić, Nenad, Baučić, Ivo   +3 more
openaire   +1 more source

Eccentric sombor index of graphs and its role in the structure-property relationship analysis of polycyclic aromatic compounds. [PDF]

Sci Rep
Khaji B, Hanif S, Arathi Bhat K.
europepmc   +1 more source

Algorithm for Reporting Free Hemoglobin in ECMO Patients: Need for a Multidisciplinary Approach. [PDF]

J Clin Med
Baršić Lapić I, Zaninović L, Lovrić D, Lončar Vrančić A, Rebrek D, Rogić D.   +5 more
europepmc   +1 more source

Information-theoretic entropy and topological descriptor analysis of tin oxide (SnO₂) for structural and property prediction. [PDF]

Sci Rep
Tang JH, Saleem M, Ullah A, Din NU, Zaman S, Ahmad H, Ali P, Belay MB.   +7 more
europepmc   +1 more source