Works matching DE "MOLECULAR graphs"

Results: 886

Anti-Forcing Number of Certain k-Circumscribed Peri-Condensed Benzenoid Graphs.

Published in:

Polycyclic Aromatic Compounds, 2025, v. 45, n. 5, p. 996, doi. 10.1080/10406638.2024.2427801

By:

S., Little Joice;
S., Maria Jesu Raja

Publication type:

Article

A Comparative Study: Domination Parameters and Physico-Chemical Properties of Benzenoid Hydrocarbons.

Published in:

Polycyclic Aromatic Compounds, 2025, v. 45, n. 5, p. 793, doi. 10.1080/10406638.2024.2417716

By:

Khan, Suliman;
Malik, Muhammad Yasir Hayat;
Colakoglu, Ozge;
Ishaq, Muhammad;
Faryad, Uroosa

Publication type:

Article

GraphGIM: rethinking molecular graph contrastive learning via geometry image modeling.

Published in:

BMC Biology, 2025, v. 23, n. 1, p. 1, doi. 10.1186/s12915-025-02249-0

By:

Li, Chaoyi;
Xiang, Hongxin;
Du, Wenjie;
Ma, Tengfei;
Chen, Haowen;
Zeng, Xiangxiang;
Xu, Lei

Publication type:

Article

Proper 3-Dominating Sets in Graphs.

Published in:

Mathematics (2227-7390), 2025, v. 13, n. 12, p. 1960, doi. 10.3390/math13121960

By:

Chen, Danmei;
Cai, Shuangjie

Publication type:

Article

Degree-Based and Neighborhood Degree Sum-Based Entropy Measure of Molnupiravir.

Published in:

Scientific Annals of Computer Science, 2025, v. 35, n. 1, p. 87, doi. 10.47743/SACS.2025.1.87

By:

DAS, Shibsankar;
KUMARI, Arti;
BARMAN, Jayjit

Publication type:

Article

On the Symmetry and Domination Integrity of Some Bidegreed Graphs.

Published in:

Symmetry (20738994), 2025, v. 17, n. 6, p. 953, doi. 10.3390/sym17060953

By:

Ganesan, Balaraman;
Raman, Sundareswaran

Publication type:

Article

Add-GNN: A Dual-Representation Fusion Molecular Property Prediction Based on Graph Neural Networks with Additive Attention.

Published in:

Symmetry (20738994), 2025, v. 17, n. 6, p. 873, doi. 10.3390/sym17060873

By:

Zhou, Ronghe;
Zhang, Yong;
He, Kai;
Liu, Hao

Publication type:

Article

Several Topological Indices of Random Caterpillars.

Published in:

Methodology & Computing in Applied Probability, 2022, v. 24, n. 3, p. 1773, doi. 10.1007/s11009-021-09895-1

By:

Zhang, Panpan;
Wang, Xiaojing

Publication type:

Article

A quadratic regression model to quantify certain latest corona treatment drug molecules based on coindices of M-polynomial.

Published in:

Journal of Supercomputing, 2024, v. 80, n. 19, p. 26805, doi. 10.1007/s11227-024-06434-w

By:

Zaman, Shahid;
Rasheed, Sadaf;
Alamer, Ahmed

Publication type:

Article

Fault-Tolerant Metric Dimension in Carbon Networks.

Published in:

Foundations (2673-9321), 2025, v. 5, n. 2, p. 13, doi. 10.3390/foundations5020013

By:

Azhar, Kamran;
Nadeem, Asim;
Shang, Yilun

Publication type:

Article

In-silico activity prediction and docking studies of some flavonol derivatives as anti-prostate cancer agents based on Monte Carlo optimization.

Published in:

BMC Chemistry, 2023, v. 17, n. 1, p. 1, doi. 10.1186/s13065-023-00999-y

By:

Tajiani, Faezeh;
Ahmadi, Shahin;
Lotfi, Shahram;
Kumar, Parvin;
Almasirad, Ali

Publication type:

Article

SOME BOND-ADDITIVE INDICES AND ITS POLYNOMIAL OF CELLULOSE.

Published in:

Journal of the Indonesian Mathematical Society, 2024, v. 30, n. 1, p. 1, doi. 10.22342/jims.30.1.1298.1-20

By:

KANDAN, P.;
SUBRAMANIAN, S.

Publication type:

Article

CHEMICAL APPLICABILITY OF SECOND ORDER SOMBOR INDEX.

Published in:

Journal of the Indonesian Mathematical Society, 2023, v. 29, n. 2, p. 135, doi. 10.22342/jims.29.2.1122.135-149

By:

BASAVANAGOUD, B.;
VEERAPUR, GOUTAM

Publication type:

Article

Calculating PI related indices and their polynomial of Hyaluronic Acid and Conjugates.

Published in:

Journal of the Indonesian Mathematical Society, 2022, v. 28, n. 3, p. 221, doi. 10.22342/jims.28.3.1204.221-241

By:

KANDAN, P.;
SUBRAMANIAN, S.;
RAJESH, P.

Publication type:

Article

Calculating PI related indices and their polynomial of Hyaluronic Acid and Conjugates.

Published in:

Journal of the Indonesian Mathematical Society, 2022, v. 28, n. 2, p. 194, doi. 10.22342/jims.28.2.1204.194-214

By:

KANDAN, P.;
SUBRAMANIAN, S.;
RAJESH, P.

Publication type:

Article

REGULAR GAMMA NEARNESS SEMIGROUPS.

Published in:

Bulletin of International Mathematical Virtual Institute, 2023, v. 13, n. 2, p. 253, doi. 10.7251/BIMVI2302253O

By:

Öztürk, Mehmet Ali;
TEKİN, Özlem

Publication type:

Article

ON RELATIONS BETWEEN ATOM-BOND SUM-CONNECTIVITY INDEX AND OTHER CONNECTIVITY INDICES.

Published in:

Bulletin of International Mathematical Virtual Institute, 2023, v. 13, n. 2, p. 249, doi. 10.7251/BIMVI2302249L

By:

Zhen Lin

Publication type:

Article

ON THE ZAGREB INDICES OF THE LINE CUT-VERTEX GRAPHS OF THE SUBDIVISION GRAPHS.

Published in:

Bulletin of International Mathematical Virtual Institute, 2022, v. 12, n. 1, p. 17, doi. 10.7251/BIMVI2201017N

By:

H. M, Nagesh

Publication type:

Article

Computation of Nirmala Indices of Some Chemical Networks.

Published in:

Journal of Ultra Scientist of Physical Sciences - Section A (Mathematics), 2021, v. 33, n. 4, p. 30, doi. 10.22147/jusps-A/330401

By:

KULLI, V. R.;
CHALUVARAJU, B.;
ASHA, T. V.

Publication type:

Article

New Multiplicative Arithmetic-Geometric Indices.

Published in:

Journal of Ultra Scientist of Physical Sciences - Section A (Mathematics), 2017, v. 29, n. 6, p. 205, doi. 10.22147/jusps-A/290601

By:

KULLI, V. R.

Publication type:

Article

Computational analysis of diameter eccentricity based and hyper diameter eccentricity based indices for linear saturated monocarboxylic acids.

Published in:

Journal of the National Science Foundation of Sri Lanka, 2024, v. 52, n. 3, p. 311, doi. 10.4038/jnsfsr.v52i3.11835

By:

Sarkarai, D.;
Desikan, K.

Publication type:

Article

M-polynomial and topological indices for the anti-tuberculosis drugs.

Published in:

Journal of the National Science Foundation of Sri Lanka, 2022, v. 50, n. 4, p. 827, doi. 10.4038/jnsfsr.v50i4.10786

By:

Jude, T. P.;
Elango, P.;
Koneswaran, M.

Publication type:

Article

Hosoya polynomial and topological indices of n-linear benzene.

Published in:

Journal of the National Science Foundation of Sri Lanka, 2019, v. 47, n. 2, p. 169, doi. 10.4038/jnsfsr.v47i2.9152

By:

Nizami, Abdul Rauf;
Idrees, Muhammad;
Amin, Numan;
Iqbal, Zaffar

Publication type:

Article

Some topological indices of the family of nanostructures of polycyclic aromatic hydrocarbons (PAHs).

Published in:

Journal of the National Science Foundation of Sri Lanka, 2018, v. 46, n. 1, p. 81, doi. 10.4038/jnsfsr.v46i1.8267

By:

Soleimani, Najmeh;
Mohseni, Esmaeel;
Maleki, Niloofar;
Imani, Najmeh

Publication type:

Article

Bounding the HL-index of a graph: a majorization approach.

Published in:

Journal of Inequalities & Applications, 2016, v. 2016, n. 1, p. 1, doi. 10.1186/s13660-016-1234-6

By:

Clemente, Gian;
Cornaro, Alessandra

Publication type:

Article

Degree-Based Entropy of Some Classes of Networks.

Published in:

Mathematics (2227-7390), 2023, v. 11, n. 4, p. 960, doi. 10.3390/math11040960

By:

Nagarajan, S.;
Imran, Muhammad;
Kumar, P. Mahesh;
Pattabiraman, K.;
Ghani, Muhammad Usman

Publication type:

Article

Smoothness of Graph Energy in Chemical Graphs.

Published in:

Mathematics (2227-7390), 2023, v. 11, n. 3, p. 552, doi. 10.3390/math11030552

By:

Zemljič, Katja;
Žigert Pleteršek, Petra

Publication type:

Article

Topological Indices of Graphs from Vector Spaces.

Published in:

Mathematics (2227-7390), 2023, v. 11, n. 2, p. 295, doi. 10.3390/math11020295

By:

Mageshwaran, Krishnamoorthy;
Alessa, Nazeek;
Gopinath, Singaravelu;
Loganathan, Karuppusamy

Publication type:

Article

On Bond Incident Degree Indices of Chemical Graphs.

Published in:

Mathematics (2227-7390), 2023, v. 11, n. 1, p. 27, doi. 10.3390/math11010027

By:

Albalahi, Abeer M.;
Ali, Akbar;
Du, Zhibin;
Bhatti, Akhlaq Ahmad;
Alraqad, Tariq;
Iqbal, Naveed;
Hamza, Amjad E.

Publication type:

Article

Drug Side Effect Prediction with Deep Learning Molecular Embedding in a Graph-of-Graphs Domain.

Published in:

Mathematics (2227-7390), 2022, v. 10, n. 23, p. 4550, doi. 10.3390/math10234550

By:

Pancino, Niccolò;
Perron, Yohann;
Bongini, Pietro;
Scarselli, Franco

Publication type:

Article

Study of Fractional Differential Equations Emerging in the Theory of Chemical Graphs: A Robust Approach.

Published in:

Mathematics (2227-7390), 2022, v. 10, n. 22, p. 4222, doi. 10.3390/math10224222

By:

Turab, Ali;
Rosli, Norhayati

Publication type:

Article

Minimum Randić Index of Trees with Fixed Total Domination Number.

Published in:

Mathematics (2227-7390), 2022, v. 10, n. 20, p. 3729, doi. 10.3390/math10203729

By:

Ahmad Jamri, Ayu Ameliatul Shahilah;
Movahedi, Fateme;
Hasni, Roslan;
Gobithaasan, Rudrusamy;
Akhbari, Mohammad Hadi

Publication type:

Article

The Eccentric-Distance Sum Polynomials of Graphs by Using Graph Products.

Published in:

Mathematics (2227-7390), 2022, v. 10, n. 16, p. 2834, doi. 10.3390/math10162834

By:

Altassan, Alaa;
Imran, Muhammad;
Akhter, Shehnaz

Publication type:

Article

Exact Maximum Clique Algorithm for Different Graph Types Using Machine Learning.

Published in:

Mathematics (2227-7390), 2022, v. 10, n. 1, p. 97, doi. 10.3390/math10010097

By:

Reba, Kristjan;
Guid, Matej;
Rozman, Kati;
Janežič, Dušanka;
Konc, Janez

Publication type:

Article

Edge Metric and Fault-Tolerant Edge Metric Dimension of Hollow Coronoid.

Published in:

Mathematics (2227-7390), 2021, v. 9, n. 12, p. 1405, doi. 10.3390/math9121405

By:

Koam, Ali N. A.;
Ahmad, Ali;
Ibrahim, Muhammad;
Azeem, Muhammad

Publication type:

Article

Weighted Wiener Indices of Molecular Graphs with Application to Alkenes and Alkadienes.

Published in:

Mathematics (2227-7390), 2021, v. 9, n. 2, p. 153, doi. 10.3390/math9020153

By:

Brezovnik, Simon;
Tratnik, Niko;
Žigert Pleteršek, Petra

Publication type:

Article

Linear Algorithms for the Hosoya Index and Hosoya Matrix of a Tree.

Published in:

Mathematics (2227-7390), 2021, v. 9, n. 2, p. 142, doi. 10.3390/math9020142

By:

Vesel, Aleksander

Publication type:

Article

Chemical Graph Theory for Property Modeling in QSAR and QSPR—Charming QSAR & QSPR.

Published in:

Mathematics (2227-7390), 2021, v. 9, n. 1, p. 60, doi. 10.3390/math9010060

By:

Costa, Paulo C. S.;
Evangelista, Joel S.;
Leal, Igor;
Miranda, Paulo C. M. L.

Publication type:

Article

Wiener Index of Edge Thorny Graphs of Catacondensed Benzenoids.

Published in:

Mathematics (2227-7390), 2020, v. 8, n. 4, p. 467, doi. 10.3390/math8040467

By:

Dobrynin, Andrey A.;
Iranmanesh, Ali

Publication type:

Article

Novel Face Index for Benzenoid Hydrocarbons.

Published in:

Mathematics (2227-7390), 2020, v. 8, n. 3, p. 312, doi. 10.3390/math8030312

By:

Jamil, Muhammad Kamran;
Imran, Muhammad;
Abdul Sattar, Kanza

Publication type:

Article

Total and Double Total Domination Number on Hexagonal Grid.

Published in:

Mathematics (2227-7390), 2019, v. 7, n. 11, p. 1110, doi. 10.3390/math7111110

By:

Klobučar, Antoaneta;
Klobučar, Ana

Publication type:

Article

Computing Degree Based Topological Properties of Third Type of Hex-Derived Networks.

Published in:

Mathematics (2227-7390), 2019, v. 7, n. 4, p. 368, doi. 10.3390/math7040368

By:

Wei, Chang-Cheng;
Ali, Haidar;
Binyamin, Muhammad Ahsan;
Naeem, Muhammad Nawaz;
Liu, Jia-Bao

Publication type:

Article

On Irregularity Measures of Some Dendrimers Structures.

Published in:

Mathematics (2227-7390), 2019, v. 7, n. 3, p. 271, doi. 10.3390/math7030271

By:

Gao, Wei;
Aamir, Muhammad;
Iqbal, Zahid;
Ishaq, Muhammad;
Aslam, Adnan

Publication type:

Article

Distance and Adjacency Energies of Multi-Level Wheel Networks.

Published in:

Mathematics (2227-7390), 2019, v. 7, n. 1, p. 43, doi. 10.3390/math7010043

By:

Liu, Jia-Bao;
Munir, Mobeen;
Yousaf, Amina;
Naseem, Asim;
Ayub, Khudaija

Publication type:

Article

Some Reverse Degree-Based Topological Indices and Polynomials of Dendrimers.

Published in:

Mathematics (2227-7390), 2018, v. 6, n. 10, p. 214, doi. 10.3390/math6100214

By:

Gao, Wei;
Younas, Muhammad;
Farooq, Adeel;
Virk, Abaid Ur Rehman;
Nazeer, Waqas

Publication type:

Article

Eccentricity-Based Topological Indices of a Cyclic Octahedron Structure.

Published in:

Mathematics (2227-7390), 2018, v. 6, n. 8, p. 141, doi. 10.3390/math6080141

By:

Zahid, Manzoor Ahmed;
Baig, Abdul Qudair;
Naeem, Muhammad;
Azhar, Muhammad Razwan

Publication type:

Article

Eccentricity Based Topological Indices of an Oxide Network.

Published in:

Mathematics (2227-7390), 2018, v. 6, n. 7, p. 126, doi. 10.3390/math6070126

By:

Imran, Muhammad;
Siddiqui, Muhammad Kamran;
Abunamous, Amna A. E.;
Adi, Dana;
Rafique, Saida Hafsa;
Baig, Abdul Qudair

Publication type:

Article

Heterogeneous Edge Computing for Molecular Property Prediction with Graph Convolutional Networks †.

Published in:

Electronics (2079-9292), 2025, v. 14, n. 1, p. 101, doi. 10.3390/electronics14010101

By:

Grailoo, Mahdieh;
Nunez-Yanez, Jose

Publication type:

Article

Optimizing GNN Architectures Through Nonlinear Activation Functions for Potent Molecular Property Prediction.

Published in:

Computation, 2024, v. 12, n. 11, p. 212, doi. 10.3390/computation12110212

By:

Rasool, Areen;
Rahman, Jamshaid Ul;
Iqbal, Quaid

Publication type:

Article

On the Inverse Symmetric Division Deg Index of Unicyclic Graphs.

Published in:

Computation, 2022, v. 10, n. 10, p. 181, doi. 10.3390/computation10100181

By:

Albalahi, Abeer M.;
Ali, Akbar

Publication type:

Article