Results 61 to 70 of about 40,634 (157)

Prediction of Standard Combustion Enthalpy of Organic Compounds Combining Machine Learning and Chemical Graph Theory: A Strategy. [PDF]

ACS Omega
Saviñon-Flores F, Arzola-Flores JA, García-Castro MA, Díaz-Sánchez F, Vidal Robles E, Maruri Valderrabano FA.   +5 more
europepmc   +1 more source

A computational approach to drug design for multiple sclerosis via QSPR modeling, chemical graph theory, and multi-criteria decision analysis. [PDF]

BMC Chem
Farooq FB, Idrees N, Noor E, Alqahtani NA, Imran M.   +4 more
europepmc   +1 more source

QSPR analysis using stress sum based topological indices for predicting physicochemical properties of Hodgkin lymphoma drugs. [PDF]

Front Chem
Sivaranjani A, Bharani Dharan K, Radha S.   +2 more
europepmc   +1 more source

Fuzzy topological analysis of fuzzy Helm graphs with applications to protein interaction networks. [PDF]

Sci Rep
Mufti ZS, Tedjani AH, Liaqat S, Ganati GA.   +3 more
europepmc   +1 more source

Entropy and topological indices of nanostar dendrimers: a graph-theoretic approach. [PDF]

Front Chem
Nawaz A, Bokhary SAUH, Imran M.
europepmc   +1 more source

Predicting properties of antifungal drug molecules using neighborhood degree topological indices. [PDF]

Sci Rep
Almulla AA, Irfan I, Mufti ZS, Almulla MO, Ganati GA.   +4 more
europepmc   +1 more source

QSPR modeling of physicochemical properties of SSRI and SNRI antidepressants using advanced molecular graph descriptors. [PDF]

Sci Rep
Kabeer A, Mufti ZS, Almehizia AA, Assiri AA, Ganati GA.   +4 more
europepmc   +1 more source

Independent set-based multivariate graph polynomials for fractal-type silicate triangle structures. [PDF]

Front Chem
Nithiya KS, Easwaramoorthy D.
europepmc   +1 more source

Prediction of properties of some drugs used in the treatment of bipolar disorder via various Zagreb indices. [PDF]

Sci Rep
Çolakoğlu Ö, Altassan A.
europepmc   +1 more source

Reaction Enumeration Based on NBO-Informed Molecular Graphs. [PDF]

J Comput Chem
Alfonso-Ramos JE, Stuyver T.
europepmc   +1 more source