Results 111 to 120 of about 25,433 (194)

Modelling π-electron energy of benzenes via Zagreb psi indices. [PDF]

J Comput Aided Mol Des
Yamaç K.
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

Machine learning approach to topological graph descriptors of graphene nanoribbons. [PDF]

Front Chem
Jyothish K, Roy S, Sekar Ponnusamy C, Gayathri KB, Vijay JS, Augustine T.   +5 more
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

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

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

C-Reactive Protein-to-Platelet Inflammatory Index (CPII) and Symptom Severity Score for Early Differentiation of Odontogenic Cervicofacial Necrotizing Fasciitis from Odontogenic Abscesses: A Retrospective Cohort Study. [PDF]

Dent J (Basel)
Tarle M, Čvrljević I, Hat K, Raguž M, Salarić I, Lukšić I.   +5 more
europepmc   +1 more source

From graph theory to chemoinformatics: modified bond-based indices and a hypothesis-driven multi-task QSAR/QSPR benchmark. [PDF]

Sci Rep
Altairi A, Alhaj Z, Alsharafi M, Zeren Y.   +3 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