Application of Zagreb Index Models in Predicting the Physicochemical Properties of Unsaturated Fatty acids.
- Published in:
- Oriental Journal of Chemistry, 2025, v. 41, n. 1, p. 201, doi. 10.13005/ojc/410124
- By:
- Publication type:
- Article
Works matching DE "MOLECULAR graphs"
Results: 863
1
2
Knowledge-aware contrastive heterogeneous molecular graph learning.
- Published in:
- PLoS Computational Biology, 2025, v. 21, n. 5, p. 1, doi. 10.1371/journal.pcbi.1013008
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- Publication type:
- Article
3
Predicting inhibitors of OATP1B1 via heterogeneous OATP-ligand interaction graph neural network (HOLIgraph).
- Published in:
- Journal of Cheminformatics, 2025, v. 17, n. 1, p. 1, doi. 10.1186/s13321-025-01020-5
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- Publication type:
- Article
4
Inside Cover Picture.
- Published in:
- Chinese Journal of Chemistry, 2025, v. 43, n. 11, p. 1214, doi. 10.1002/cjoc.70077
- Publication type:
- Article
5
SOME ZAGREB-TYPE INDICES OF VICSEK POLYGON GRAPHS.
- Published in:
- Fractals, 2024, v. 32, n. 3, p. 1, doi. 10.1142/S0218348X24500658
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- Publication type:
- Article
6
GraphATC: advancing multilevel and multi-label anatomical therapeutic chemical classification via atom-level graph learning.
- Published in:
- Briefings in Bioinformatics, 2025, v. 26, n. 2, p. 1, doi. 10.1093/bib/bbaf194
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- Publication type:
- Article
7
MolEM: a unified generative framework for molecular graphs and sequential orders.
- Published in:
- Briefings in Bioinformatics, 2025, v. 26, n. 2, p. 1, doi. 10.1093/bib/bbaf094
- By:
- Publication type:
- Article
8
ASAP-DTA: Predicting drug-target binding affinity with adaptive structure aware networks.
- Published in:
- Journal of Bioinformatics & Computational Biology, 2024, v. 22, n. 6, p. 1, doi. 10.1142/S0219720024500288
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- Publication type:
- Article
9
DeepRT: Predicting compounds presence in pathway modules and classifying into module classes using deep neural networks based on molecular properties.
- Published in:
- Journal of Bioinformatics & Computational Biology, 2023, v. 21, n. 4, p. 1, doi. 10.1142/S0219720023500178
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- Publication type:
- Article
10
BREADTH-FIRST SEARCH APPROACH TO ENUMERATION OF TREE-LIKE CHEMICAL COMPOUNDS.
- Published in:
- Journal of Bioinformatics & Computational Biology, 2013, v. 11, n. 6, p. 1, doi. 10.1142/S0219720013430075
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- Publication type:
- Article
11
On the dominant local metric dimension of certain polyphenyl chain graphs.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 6, p. 1, doi. 10.1007/s00214-023-02985-y
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- Publication type:
- Article
12
Edge resolvability of crystal cubic carbon structure.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 2, p. 1, doi. 10.1007/s00214-023-02964-3
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- Publication type:
- Article
13
A density functional theory study on the [3 + 2] cycloaddition of N-(p-methylphenacyl)benzothiazolium ylide and 1-nitro-2-(p-methoxyphenyl) ethene: the formation of two diastereomeric adducts via two different mechanisms.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 7, p. N.PAG, doi. 10.1007/s00214-019-2477-3
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- Publication type:
- Article
14
چندجملهاي مشخصه و طيف درخت كراگوجواچ.
- Published in:
- Mathematical Researches, 2023, v. 9, n. 2, p. 63
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- Publication type:
- Article
15
A triple farnesoid X receptor and peroxisome proliferator-activated receptor α/δ activator reverses hepatic fibrosis in diet-induced NASH in mice.
- Published in:
- Communications Chemistry, 2020, v. 3, n. 1, p. 1, doi. 10.1038/s42004-020-00411-z
- By:
- Publication type:
- Article
16
Data-driven analysis of the number of Lennard–Jones types needed in a force field.
- Published in:
- Communications Chemistry, 2020, v. 3, n. 1, p. 1, doi. 10.1038/s42004-020-00395-w
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- Publication type:
- Article
17
AN ELLIPTIC-ECCENTRIC SOMBOR INDEX OF A GRAPH AND ITS CHEMICAL APPLICABILITIES.
- Published in:
- Journal of Hyperstructures, 2024, v. 13, n. 2, p. 222, doi. 10.22098/jhs.2024.15446.1027
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- Publication type:
- Article
18
Total Domination Type Invariants of Regular Dendrimer.
- Published in:
- Celal Bayar University Journal of Science, 2020, v. 16, n. 2, p. 225, doi. 10.18466/cbayarfbe.669390
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- Publication type:
- Article
19
Role of GA, AG and R in Structure-Property Modelling.
- Published in:
- Polycyclic Aromatic Compounds, 2025, v. 45, n. 2, p. 307, doi. 10.1080/10406638.2024.2405526
- By:
- Publication type:
- Article
20
Topological Descriptors of Crystal Carbon Graphite.
- Published in:
- Polycyclic Aromatic Compounds, 2024, v. 44, n. 10, p. 6659, doi. 10.1080/10406638.2023.2283197
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- Publication type:
- Article
21
Laplacian Spectrum of Linear Generalized Phenylene-Quadrilateral Networks and Its Applications.
- Published in:
- Polycyclic Aromatic Compounds, 2024, v. 44, n. 8, p. 5609, doi. 10.1080/10406638.2023.2266170
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- Publication type:
- Article
22
A Novel Approach to Investigate Sadhana and PI Indices.
- Published in:
- Polycyclic Aromatic Compounds, 2024, v. 44, n. 8, p. 5060, doi. 10.1080/10406638.2023.2259566
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- Publication type:
- Article
23
On Counting Polynomials of Supercoronenes and Triangle-Shaped Discotic Graphene.
- Published in:
- Polycyclic Aromatic Compounds, 2024, v. 44, n. 5, p. 3243, doi. 10.1080/10406638.2023.2232575
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- Publication type:
- Article
24
On Molecular Descriptors of Polycyclic Aromatic Hydrocarbon.
- Published in:
- Polycyclic Aromatic Compounds, 2024, v. 44, n. 5, p. 3233, doi. 10.1080/10406638.2023.2232574
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- Publication type:
- Article
25
The Sombor Index and Coindex of Chemical Graphs.
- Published in:
- Polycyclic Aromatic Compounds, 2024, v. 44, n. 5, p. 2942, doi. 10.1080/10406638.2023.2225683
- By:
- Publication type:
- Article
26
On Some Bounds of Multiplicative K Banhatti Indices for Polycyclic Random Chains.
- Published in:
- Polycyclic Aromatic Compounds, 2024, v. 44, n. 4, p. 2270, doi. 10.1080/10406638.2023.2215374
- By:
- Publication type:
- Article
27
An Algebraic Approach to Calculate Some Topological Coindices and QSPR Analysis of Some Novel Drugs Used in the Treatment of Breast Cancer.
- Published in:
- Polycyclic Aromatic Compounds, 2024, v. 44, n. 4, p. 2226, doi. 10.1080/10406638.2023.2214286
- By:
- Publication type:
- Article
28
Mixed Metric Dimension of Certain Carbon Nanocone Networks.
- Published in:
- Polycyclic Aromatic Compounds, 2024, v. 44, n. 3, p. 2046, doi. 10.1080/10406638.2023.2211734
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- Publication type:
- Article
29
Vertex-Edge Partition Resolvability for Certain Carbon Nanocones.
- Published in:
- Polycyclic Aromatic Compounds, 2024, v. 44, n. 3, p. 1745, doi. 10.1080/10406638.2023.2206142
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- Publication type:
- Article
30
QSPR Analysis of Some Drug Candidates Investigated for COVID-19 via New Topological Coindices.
- Published in:
- Polycyclic Aromatic Compounds, 2024, v. 44, n. 2, p. 1291, doi. 10.1080/10406638.2023.2191974
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- Publication type:
- Article
31
Degree-Based Topological Descriptors of Hexaphenylbenzene Molecule Graphs.
- Published in:
- Polycyclic Aromatic Compounds, 2024, v. 44, n. 2, p. 1238, doi. 10.1080/10406638.2023.2190133
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- Publication type:
- Article
32
On Molecular Structural Characterization of Cyclen Cored Dendrimers.
- Published in:
- Polycyclic Aromatic Compounds, 2024, v. 44, n. 2, p. 707, doi. 10.1080/10406638.2023.2179641
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- Publication type:
- Article
33
On Entropy Measures for Crystallographic Structure of Silicon–Carbon Networks.
- Published in:
- Polycyclic Aromatic Compounds, 2024, v. 44, n. 1, p. 375, doi. 10.1080/10406638.2023.2174991
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- Publication type:
- Article
34
Fault-Tolerant Partition Resolvability in Chemical Graphs.
- Published in:
- Polycyclic Aromatic Compounds, 2023, v. 43, n. 10, p. 8830, doi. 10.1080/10406638.2022.2156559
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- Publication type:
- Article
35
Minimum Number of Kekulé Structures of Certain Benzenoid Graphs and Pr[m,n]-Polyacenic Nanotubes.
- Published in:
- Polycyclic Aromatic Compounds, 2023, v. 43, n. 10, p. 8873, doi. 10.1080/10406638.2022.2156557
- By:
- Publication type:
- Article
36
Topological Indices and QSPR Modeling of New Antiviral Drugs for Cancer Treatment.
- Published in:
- Polycyclic Aromatic Compounds, 2023, v. 43, n. 9, p. 8147, doi. 10.1080/10406638.2022.2145320
- By:
- Publication type:
- Article
37
QSPR Modeling of Status-Based Topological Indices with COVID-19 Drugs.
- Published in:
- Polycyclic Aromatic Compounds, 2023, v. 43, n. 8, p. 6868, doi. 10.1080/10406638.2022.2127803
- By:
- Publication type:
- Article
38
Topological Co-Indices of Molecular Structure of Porphyrazine Network.
- Published in:
- Polycyclic Aromatic Compounds, 2023, v. 43, n. 7, p. 6654, doi. 10.1080/10406638.2022.2125540
- By:
- Publication type:
- Article
39
Computation of Neighborhood M-Polynomial of Three Classes of Polycyclic Aromatic Hydrocarbons.
- Published in:
- Polycyclic Aromatic Compounds, 2023, v. 43, n. 6, p. 5519, doi. 10.1080/10406638.2022.2103576
- By:
- Publication type:
- Article
40
On Analysis of Topological Co-Indices for Triangular Benzenoids and Starphene Nanotubes.
- Published in:
- Polycyclic Aromatic Compounds, 2023, v. 43, n. 6, p. 5310, doi. 10.1080/10406638.2022.2101489
- By:
- Publication type:
- Article
41
Molecular Descriptor Analysis of Polyphenylene Superhoneycomb Networks.
- Published in:
- Polycyclic Aromatic Compounds, 2023, v. 43, n. 5, p. 4803, doi. 10.1080/10406638.2022.2094972
- By:
- Publication type:
- Article
42
Computing Basis and Dimension of Chloroquine and Hydroxychloroquine by Using Chemical Graph Theory.
- Published in:
- Polycyclic Aromatic Compounds, 2023, v. 43, n. 5, p. 4131, doi. 10.1080/10406638.2022.2086269
- By:
- Publication type:
- Article
43
On Analysis of Temperature Based Topological Indices of Some Covid-19 Drugs.
- Published in:
- Polycyclic Aromatic Compounds, 2023, v. 43, n. 4, p. 3810, doi. 10.1080/10406638.2022.2080238
- By:
- Publication type:
- Article
44
Total Irregularity Strengths of a Disjoint Union of (4,6)-Fullerene Graphs.
- Published in:
- Polycyclic Aromatic Compounds, 2023, v. 43, n. 4, p. 3651, doi. 10.1080/10406638.2022.2077392
- By:
- Publication type:
- Article
45
Topological Properties of Concealed Non-Kekulean Benzenoid Hydrocarbon.
- Published in:
- Polycyclic Aromatic Compounds, 2023, v. 43, n. 2, p. 1776, doi. 10.1080/10406638.2022.2039230
- By:
- Publication type:
- Article
46
On the Estrada Index of Graphene Graph.
- Published in:
- Polycyclic Aromatic Compounds, 2023, v. 43, n. 2, p. 1888, doi. 10.1080/10406638.2022.2036779
- By:
- Publication type:
- Article
47
On Bond Incident Connection Indices of Polyomino and Benzenoid Chains.
- Published in:
- Polycyclic Aromatic Compounds, 2023, v. 43, n. 2, p. 1000, doi. 10.1080/10406638.2022.2035414
- By:
- Publication type:
- Article
48
Degree Based Weighted Entropy Indices of Polycyclic Aromatic Hydrocarbons.
- Published in:
- Polycyclic Aromatic Compounds, 2023, v. 43, n. 2, p. 1482, doi. 10.1080/10406638.2022.2028868
- By:
- Publication type:
- Article
49
Computing Reverse Degree Based Topological Indices of Vanadium Carbide.
- Published in:
- Polycyclic Aromatic Compounds, 2023, v. 43, n. 2, p. 1172, doi. 10.1080/10406638.2022.2026418
- By:
- Publication type:
- Article
50
On Topological Properties of Planar Octahedron Networks.
- Published in:
- Polycyclic Aromatic Compounds, 2023, v. 43, n. 1, p. 755, doi. 10.1080/10406638.2021.2022726
- By:
- Publication type:
- Article