Works matching DE "MOLECULAR graphs"

Results: 871

A Complete Energy Model for Graphene Flake Growth with the Fewest Possible Dangling Bonds.

Published in:

Nanomaterials (2079-4991), 2025, v. 15, n. 10, p. 723, doi. 10.3390/nano15100723

By:

Grozev, Ivan G.;
Kalchevski, Dobromir A.;
Trifonov, Dimitar V.;
Kolev, Stefan K.;
Aleksandrov, Hristiyan A.;
Popov, Valentin N.;
Milenov, Teodor I.

Publication type:

Article

Explainable AI in drug discovery: self-interpretable graph neural network for molecular property prediction using concept whitening.

Published in:

Machine Learning, 2024, v. 113, n. 4, p. 2013, doi. 10.1007/s10994-023-06369-y

By:

Proietti, Michela;
Ragno, Alessio;
Rosa, Biagio La;
Ragno, Rino;
Capobianco, Roberto

Publication type:

Article

A generalized Weisfeiler-Lehman graph kernel.

Published in:

Machine Learning, 2022, v. 111, n. 7, p. 2601, doi. 10.1007/s10994-022-06131-w

By:

Schulz, Till Hendrik;
Horváth, Tamás;
Welke, Pascal;
Wrobel, Stefan

Publication type:

Article

Learning subtree pattern importance for Weisfeiler-Lehman based graph kernels.

Published in:

Machine Learning, 2021, v. 110, n. 7, p. 1585, doi. 10.1007/s10994-021-05991-y

By:

Nguyen, Dai Hai;
Nguyen, Canh Hao;
Mamitsuka, Hiroshi

Publication type:

Article

Probabilistic and exact frequent subtree mining in graphs beyond forests.

Published in:

Machine Learning, 2019, v. 108, n. 7, p. 1137, doi. 10.1007/s10994-019-05779-1

By:

Welke, Pascal;
Horváth, Tamás;
Wrobel, Stefan

Publication type:

Article

On Hosoya Index and Merrifield‐Simmons Index of trees with given domination number.

Published in:: Numerical Methods for Partial Differential Equations, 2022, v. 38, n. 4, p. 904, doi. 10.1002/num.22712
Publication type:: Article

Galvanostatic synthesis of MnO2 in carbon cloth: an electrochemical impedance spectroscopy study.

Published in:

Journal of Solid State Electrochemistry, 2020, v. 24, n. 8, p. 1727, doi. 10.1007/s10008-020-04532-2

By:

Costa, J. C. M.;
Nascimento, M. C.;
Silva, E. C.;
Pereira, B. L.;
Passos, R. R.;
Pocrifka, L. A.

Publication type:

Article

چندجملهاي مشخصه و طيف درخت كراگوجواچ.

Published in:

Mathematical Researches, 2023, v. 9, n. 2, p. 63

By:

عباس حيدري

Publication type:

Article

M-POLYNOMIAL BASED MATHEMATICAL FORMULATION OF THE (a, b)-NIRMALA INDEX AND ITS BOUNDS.

Published in:

Palestine Journal of Mathematics, 2024, v. 13, n. 4, p. 1376

By:

Das, Shibsankar;
Rai, Shikha

Publication type:

Article

Studying new Revan indices by using M-polynomial approach on some dendrimers.

Published in:

Palestine Journal of Mathematics, 2024, v. 13, n. 4, p. 225

By:

Ghods, M.;
Javame, S.;
Tousi, J. Ramezani

Publication type:

Article

GENERAL DEGREE SUBTRACTION SPECTRA AND ENERGY.

Published in:

Palestine Journal of Mathematics, 2024, v. 13, n. 3, p. 59

By:

Shinde, Sumedha S.;
Macha, J.;
Patil, Shreekant

Publication type:

Article

Bounds of Sombor Index for F-Sum Operation.

Published in:

Palestine Journal of Mathematics, 2023, v. 12, n. 2, p. 504

By:

Sarkar, Ishita;
Manjunath, N.;
Chaluvaraju, B.;
Lokesha, V.

Publication type:

Article

Bounds related to product variants of graphs.

Published in:

Palestine Journal of Mathematics, 2023, v. 12, n. 2, p. 1

By:

Sarkar, Ishita;
Manjunath, N.;
Chaluvaraju, B.

Publication type:

Article

On distance-based topological invariants of Isaac graphs.

Published in:

Palestine Journal of Mathematics, 2023, v. 12, n. 1, p. 683

By:

Bhat, Raghavendra A.;
Dossou-Olory, Audace A. V.;
Poojary, Prasanna;
Sooryanarayana, Badekara

Publication type:

Article

Reciprocal complementary Wiener index in terms of vertex connectivity, independence number, independence domination number and chromatic number of a graph.

Published in:

Palestine Journal of Mathematics, 2022, v. 11, n. 1, p. 104

By:

Ramane, H. S.;
Manjalapur, V. V.

Publication type:

Article

NON-NEIGHBOR TOPOLOGICAL INDICES OF HONEYCOMB NETWORKS.

Published in:

Palestine Journal of Mathematics, 2021, v. 10, p. 52

By:

Roshini, G. R.;
Chandrakala, S. B.;
Kumar, M. Vishu;
Sooryanarayana, B.

Publication type:

Article

Multiplicative Topological Properties on Degree Based for Fourth Type of Hex-Derived Networks.

Published in:

Journal of Function Spaces, 2022, p. 1, doi. 10.1155/2022/2376289

By:

Ali, Haidar;
Dustigeer, Ghulam;
Li, Yong-Min;
Shafiq, Muhammad Kashif;
Ali, Parvez

Publication type:

Article

Computing First and Second Fuzzy Zagreb Indices of Linear and Multiacyclic Hydrocarbons.

Published in:

Journal of Function Spaces, 2022, p. 1, doi. 10.1155/2022/6281592

By:

Mufti, Zeeshan Saleem;
Fatima, Eiman;
Anjum, Rukhshanda;
Tchier, Fairouz;
Xin, Qin;
Hossain, Md. Moyazzem

Publication type:

Article

On Computation of Degree-Based Entropy of Planar Octahedron Networks.

Published in:

Journal of Function Spaces, 2022, p. 1, doi. 10.1155/2022/1220208

By:

Sun, Tian-Le;
Ali, Haidar;
Ali, Bilal;
Ali, Usman;
Liu, Jia-Bao;
Ali, Parvez

Publication type:

Article

Evaluation of phosphate removal from aqueous solution using metal organic framework; isotherm, kinetic and thermodynamic study.

Published in:

Journal of Environmental Health Science & Engineering, 2019, v. 17, n. 1, p. 209, doi. 10.1007/s40201-019-00341-6

By:

Mazloomi, Sajad;
Yousefi, Mahmood;
Nourmoradi, Heshmatollah;
Shams, Mahmoud

Publication type:

Article

Sum-Connectivity Coindex of Graphs under Operations.

Published in:

Journal of Chemistry, 2022, p. 1, doi. 10.1155/2022/4523223

By:

Ibraheem, Muhammad;
Bonyah, Ebenezer;
Javaid, Muhammad

Publication type:

Article

Topological Attributes of Silicon Carbide SiC4-IIi,j Based on Ve-Degree and Ev-Degree.

Published in:

Journal of Chemistry, 2022, p. 1, doi. 10.1155/2022/3188993

By:

Mahboob, Abid;
Alrowaili, Dalal;
Alam, Sajid Mahboob;
Ali, Rifaqat;
Rasheed, Muhammad Waheed;
Siddique, Imran

Publication type:

Article

Comparative Analysis of Subdivided Hex-Derived Networks Using Structural Descriptors.

Published in:

Journal of Chemistry, 2022, p. 1, doi. 10.1155/2022/6502473

By:

Ahmad, Maqsood;
Javaid, Muhammad;
Bonyah, Ebenezer;
Saeed, Muhammad

Publication type:

Article

Molecular Descriptors on Line Graphs of Cactus Chains and Rooted Products Graphs.

Published in:

Journal of Chemistry, 2022, p. 1, doi. 10.1155/2022/2154288

By:

Ahmad, Iftikhar;
Chaudhry, Maqbool Ahmad;
Öner, Tarkan;
Mahmood, Tariq;
Hussain, Muhammad

Publication type:

Article

Mostar Index of Cycle-Related Structures.

Published in:

Journal of Chemistry, 2022, p. 1, doi. 10.1155/2022/9411947

By:

Asif, Fatima;
Kashif, Agha;
Zafar, Sohail;
Ojiema, Michael Onyango

Publication type:

Article

Computing Topological Descriptors and Polynomials of Certain 2D Chemical Structures.

Published in:

Journal of Chemistry, 2021, p. 1, doi. 10.1155/2021/8718807

By:

Izhar, Muhammad Mubashir;
Perveen, Zahida;
Alrowaili, Dalal;
Azeem, Mehran;
Siddique, Imran;
Imran, Shahid;
Sardar, Muhammad Shoaib

Publication type:

Article

On the Reformulated Second Zagreb Index of Graph Operations.

Published in:

Journal of Chemistry, 2021, p. 1, doi. 10.1155/2021/9289534

By:

Maji, Durbar;
Ghorai, Ganesh;
Gaba, Yaé Ulrich

Publication type:

Article

The Second Hyper-Zagreb Coindex of Chemical Graphs and Some Applications.

Published in:

Journal of Chemistry, 2021, p. 1, doi. 10.1155/2021/3687533

By:

Ayache, Ahmed;
Alameri, Abdu;
Alsharafi, Mohammed;
Ahmed, Hanan

Publication type:

Article

Eccentricity-Based Topological Invariants of Dominating David-Derived Networks.

Published in:

Journal of Chemistry, 2021, p. 1, doi. 10.1155/2021/8944080

By:

Imran, Muhammad;
Zobair, Mian Muhammad;
Shaker, Hani

Publication type:

Article

Vertex-Based Topological Indices of Double and Strong Double Graph of Dutch Windmill Graph.

Published in:

Journal of Chemistry, 2021, p. 1, doi. 10.1155/2021/7057412

By:

Ali, Muhammad Asad;
Sardar, Muhammad Shoaib;
Siddique, Imran;
Alrowaili, Dalal

Publication type:

Article

On Degree-Based Topological Indices for Strong Double Graphs.

Published in:

Journal of Chemistry, 2021, p. 1, doi. 10.1155/2021/4852459

By:

Rafiullah, Muhammad;
Siddiqui, Hafiz Muhammad Afzal;
Siddiqui, Muhammad Kamran;
Dhlamini, Mlamuli

Publication type:

Article

Molecular Descriptor Analysis of Certain Isomeric Natural Polymers.

Published in:

Journal of Chemistry, 2021, p. 1, doi. 10.1155/2021/9283246

By:

Ahmad, Maqsood;
Saeed, Muhammad;
Javaid, Muhammad;
Bonyah, Ebenezer

Publication type:

Article

On the Computation of Some Topological Descriptors to Find Closed Formulas for Certain Chemical Graphs.

Published in:

Journal of Chemistry, 2021, p. 1, doi. 10.1155/2021/5533619

By:

Aftab, Muhammad Haroon;
Rafaqat, Muhammad;
Hussain, M.;
Zia, Tariq

Publication type:

Article

On the Computation of Some Topological Descriptors to Find Closed Formulas for Certain Chemical Graphs.

Published in:

Journal of Chemistry, 2021, p. 1, doi. 10.1155/2021/5533619

By:

Aftab, Muhammad Haroon;
Rafaqat, Muhammad;
Hussain, M.;
Zia, Tariq

Publication type:

Article

Analysis of Dendrimer Generation by Sombor Indices.

Published in:

Journal of Chemistry, 2021, p. 1, doi. 10.1155/2021/9930645

By:

Amin, Shahid;
Rehman Virk, Abaid Ur;
Rehman, M.A.;
Shah, Nehad Ali

Publication type:

Article

Forgotten Index of Generalized Operations on Graphs.

Published in:

Journal of Chemistry, 2021, p. 1, doi. 10.1155/2021/9971277

By:

Javaid, Muhammad;
Javed, Saira;
Memon, Saima Q.;
Alanazi, Abdulaziz Mohammed

Publication type:

Article

Application of Resolvability Technique to Investigate the Different Polyphenyl Structures for Polymer Industry.

Published in:

Journal of Chemistry, 2021, p. 1, doi. 10.1155/2021/6633227

By:

Nadeem, Muhammad Faisal;
Hassan, Mohsan;
Azeem, Muhammad;
Ud-Din Khan, Salah;
Shaik, Mohammed Rafi;
Sharaf, Mohammed A. F.;
Abdelgawad, Abdelatty;
Awwad, Emad Mahrous

Publication type:

Article

Degree-Based Topological Indices of Boron B<sub>12</sub>.

Published in:

Journal of Chemistry, 2021, p. 1, doi. 10.1155/2021/5563218

By:

Saeed, Nouman;
Long, Kai;
Mufti, Zeeshan Saleem;
Sajid, Hafsa;
Rehman, Abdul

Publication type:

Article

Computing Analysis of Zagreb Indices for Generalized Sum Graphs under Strong Product.

Published in:

Journal of Chemistry, 2021, p. 1, doi. 10.1155/2021/6663624

By:

Javaid, Muhammad;
Javed, Saira;
Alanazi, Abdulaziz Mohammed;
Alotaibi, Majdah R.

Publication type:

Article

Topological aspects of some dendrimer structures.

Published in:

Nanotechnology Reviews, 2018, v. 7, n. 2, p. 123, doi. 10.1515/ntrev-2017-0184

By:

Aslam, Adnan;
Jamil, Muhammad Kamran;
Gao, Wei;
Nazeer, Waqas

Publication type:

Article

An Integrated Fuzzy Neural Network and Topological Data Analysis for Molecular Graph Representation Learning and Property Forecasting.

Published in:

Molecular Informatics, 2025, v. 44, n. 3, p. 1, doi. 10.1002/minf.202400335

By:

Pham, Phu

Publication type:

Article

GCLmf: A Novel Molecular Graph Contrastive Learning Framework Based on Hard Negatives and Application in Toxicity Prediction**.

Published in:

Molecular Informatics, 2025, v. 44, n. 1, p. 1, doi. 10.1002/minf.202400169

By:

Yu, Xinxin;
Chen, Yuanting;
Chen, Long;
Li, Weihua;
Wang, Yuhao;
Tang, Yun;
Liu, Guixia

Publication type:

Article

Improving Molecular Design with Direct Inverse Analysis of QSAR/QSPR Model.

Published in:

Molecular Informatics, 2025, v. 44, n. 1, p. 1, doi. 10.1002/minf.202400227

By:

Shino, Yuto;
Kaneko, Hiromasa

Publication type:

Article

A Topology‐Enhanced Multi‐Viewed Contrastive Approach for Molecular Graph Representation Learning and Classification.

Published in:

Molecular Informatics, 2025, v. 44, n. 1, p. 1, doi. 10.1002/minf.202400252

By:

Pham, Phu

Publication type:

Article

GDMol: Generative Double‐Masking Self‐Supervised Learning for Molecular Property Prediction.

Published in:

Molecular Informatics, 2025, v. 44, n. 1, p. 1, doi. 10.1002/minf.202400146

By:

Liu, Yingxu;
Fan, Qing;
Xu, Chengcheng;
Ning, Xiangzhen;
Wang, Yu;
Liu, Yang;
Xie, Yu;
Zhang, Yanmin;
Chen, Yadong;
Liu, Haichun

Publication type:

Article

Classification of tastants: A deep learning based approach.

Published in:

Molecular Informatics, 2023, v. 42, n. 12, p. 1, doi. 10.1002/minf.202300146

By:

Dutta, Prantar;
Jain, Deepak;
Gupta, Rakesh;
Rai, Beena

Publication type:

Article

Co‐model for chemical toxicity prediction based on multi‐task deep learning.

Published in:

Molecular Informatics, 2023, v. 42, n. 5, p. 1, doi. 10.1002/minf.202200257

By:

Yuan Li, Yuan;
Chen, Lingfeng;
Pu, Chengtao;
Zang, Chengdong;
Yan, YingChao;
Chen, Yadong;
Zhang, Yanmin;
Liu, Haichun

Publication type:

Article

Fragment‐based deep molecular generation using hierarchical chemical graph representation and multi‐resolution graph variational autoencoder.

Published in:

Molecular Informatics, 2023, v. 42, n. 5, p. 1, doi. 10.1002/minf.202200215

By:

Gao, Zhenxiang;
Wang, Xinyu;
Blumenfeld Gaines, Blake;
Shi, Xuetao;
Bi, Jinbo;
Song, Minghu

Publication type:

Article

Technique of Augmenting Molecular Graph Data by Perturbating Hidden Features.

Published in:

Molecular Informatics, 2022, v. 41, n. 7, p. 1, doi. 10.1002/minf.202100267

By:

Inoue, Takahiro;
Tanaka, Kenichi;
Funatsu, Kimito

Publication type:

Article

MGRNN: Structure Generation of Molecules Based on Graph Recurrent Neural Networks.

Published in:

Molecular Informatics, 2021, v. 40, n. 10, p. 1, doi. 10.1002/minf.202100091

By:

Lai, Xin;
Yang, Peisong;
Wang, Kunfeng;
Yang, Qingyuan;
Yu, Duli

Publication type:

Article