Concepedia

Molecular Graph Representation

Molecular Graph Representation is a molecular representation method in which a molecule is modeled as a graph structure, with atoms as nodes and chemical bonds as edges, enabling the encoding of molecular topology and physicochemical properties for computational drug discovery tasks.

1.1K

Publications

66K

Citations

2.6K

Authors

891

Institutions

Publications per year

2017–2026

599

Parents

Publications

1.1K

Molecular Computation of Solutions to Combinatorial Problems

Leonard M. Adleman · Science · 1994 · 4.5K citations

, , +14

Graph-set analysis of hydrogen-bond patterns in organic crystals

Margaret C. Etter, John C. MacDonald, Joel Bernstein · Acta Crystallographica Section B Structural Science · 1990 · 2.5K citations

, , +16

Molecular graph convolutions: moving beyond fingerprints

Steven Kearnes, Kevin McCloskey, Marc Berndl et al. · Journal of Computer-Aided Molecular Design · 2016 · 1.7K citations · Full text

, , +7

Pushing the Boundaries of Molecular Representation for Drug Discovery with the Graph Attention Mechanism

Zhaoping Xiong, Dingyan Wang, Xiaohong Liu et al. · Journal of Medicinal Chemistry · 2019 · 1K citations

, , +13

Degree-Based Topological Indices

İvan Gutman · Croatica Chemica Acta · 2013 · 838 citations · Full text

, , +9

1–5 of 1.1K

Authors

2.6K

  1. İG
    İvan Gutman

    University of Kragujevac, Serbia

    64 publications · 3.6K citations

    28

    h-index

  2. MR
    Milan Randić

    Drake University, United States

    24 publications · 1.5K citations

    21

    h-index

  3. MK
    Muhammad Kamran Siddiqui

    COMSATS University Islamabad, Pakistan

    31 publications · 1.3K citations

    20

    h-index

  4. NT
    Nenad Trinajstić

    Ruđer Bošković Institute, Croatia

    19 publications · 1.7K citations

    17

    h-index

  5. EE
    Ernesto Estrada

    Universidade de Santiago de Compostela, Spain

    19 publications · 1.6K citations

    17

    h-index

1–5 of 2.6K

Institutions

891

  1. COMSATS University Islamabad

    Islamabad, Pakistan

    26 h-index

    97 publications

    3.6K citations

  2. University of Kragujevac

    Kragujevac, Serbia

    23 h-index

    71 publications

    3K citations

  3. National University of Sciences and Technology

    Islamabad, Pakistan

    20 h-index

    38 publications

    1.3K citations

  4. Ruđer Bošković Institute

    Zagreb, Croatia

    19 h-index

    41 publications

    4.4K citations

  5. Universidad Central "Marta Abreu" de las Villas (UCLV)

    Santa Clara, Cuba

    19 h-index

    62 publications

    3.2K citations

  6. Texas A&M University at Galveston

    Galveston, United States

    18 h-index

    40 publications

    2.3K citations

  7. Yunnan Normal University

    Kunming, China

    17 h-index

    23 publications

    905 citations

  8. Iran University of Science and Technology

    Tehran, Iran

    16 h-index

    31 publications

    903 citations

1–8 of 891

Venues

  1. 40

    h-index

  2. Journal of Chemical Information and Modeling

    JCIM · 63 publications · 4.7K citations

    35

    h-index

  3. arXiv (Cornell University)

    Repository · 86 publications · 5.2K citations

    34

    h-index

  4. International Journal of Quantum Chemistry

    34 publications · 1.8K citations

    24

    h-index

  5. Briefings in Bioinformatics

    25 publications · 1.6K citations

    21

    h-index

1–5